CID 488610

8-(3-aminooxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C18H22FN3O4
SMILES
CC1=C(C(=CN2C1C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)ON
InChI
InChI=1S/C18H22FN3O4/c1-9-15-12(10-2-3-10)6-13(18(24)25)17(23)22(15)8-14(19)16(9)21-5-4-11(7-21)26-20/h6,8,10-12,15H,2-5,7,20H2,1H3,(H,24,25)
InChIKey
ZCUZTIKCKQNKBL-UHFFFAOYSA-N
Compound name
8-(3-aminooxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.15942 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16670 184.6
[M+Na]+ 386.14864 193.2
[M-H]- 362.15214 189.9
[M+NH4]+ 381.19324 191.6
[M+K]+ 402.12258 186.3
[M+H-H2O]+ 346.15668 176.3
[M+HCOO]- 408.15762 197.7
[M+CH3COO]- 422.17327 220.0
[M+Na-2H]- 384.13409 180.2
[M]+ 363.15887 183.4
[M]- 363.15997 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.