PubChemLite - 4h-quinolizine-3-carboxylic acid, 8-[(2r,4r)-2-(aminomethyl)-4-hydroxy-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-1,9a-dihydro-9-methyl-4-oxo- (C19H24FN3O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CN2C1C(C=C(C2=O)C(=O)O)C3CC3)F)N4C[C@@H](C[C@@H]4CN)O

InChI

InChI=1S/C19H24FN3O4/c1-9-16-13(10-2-3-10)5-14(19(26)27)18(25)23(16)8-15(20)17(9)22-7-12(24)4-11(22)6-21/h5,8,10-13,16,24H,2-4,6-7,21H2,1H3,(H,26,27)/t11-,12-,13?,16?/m1/s1

InChIKey

FTUQMVDCUBYBLS-LFOFOYIVSA-N

Compound name

8-[(2R,4R)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	378.18236	187.8
[M+Na]+	400.16430	196.4
[M-H]-	376.16780	192.1
[M+NH4]+	395.20890	193.9
[M+K]+	416.13824	188.6
[M+H-H2O]+	360.17234	180.1
[M+HCOO]-	422.17328	199.1
[M+CH3COO]-	436.18893	222.1
[M+Na-2H]-	398.14975	182.1
[M]+	377.17453	185.8
[M]-	377.17563	185.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

378.18236

187.8

[M+Na]+

400.16430

196.4

[M-H]-

376.16780

192.1

[M+NH4]+

395.20890

193.9

[M+K]+

416.13824

188.6

[M+H-H2O]+

360.17234

180.1

[M+HCOO]-

422.17328

199.1

[M+CH3COO]-

436.18893

222.1

[M+Na-2H]-

398.14975

182.1

[M]+

377.17453

185.8

[M]-

377.17563

185.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4h-quinolizine-3-carboxylic acid, 8-[(2r,4r)-2-(aminomethyl)-4-hydroxy-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-1,9a-dihydro-9-methyl-4-oxo-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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