PubChemLite - 2h-pyrido[1,2-a]pyrazine-1,8-dione, 7-(2,2-dimethyl-1-oxopropyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-methoxymethyl- (C22H25FN2O5)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C(=O)C1=CN2C(CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F)COC

InChI

InChI=1S/C22H25FN2O5/c1-22(2,3)20(28)16-11-25-15(12-30-4)10-24(9-13-5-7-14(23)8-6-13)21(29)17(25)19(27)18(16)26/h5-8,11,15,27H,9-10,12H2,1-4H3

InChIKey

DPWAXGFHJYWAFC-UHFFFAOYSA-N

Compound name

7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

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]+	417.18202	199.9
[M+Na]+	439.16396	208.3
[M-H]-	415.16746	202.5
[M+NH4]+	434.20856	208.3
[M+K]+	455.13790	203.7
[M+H-H2O]+	399.17200	189.8
[M+HCOO]-	461.17294	211.6
[M+CH3COO]-	475.18859	227.6
[M+Na-2H]-	437.14941	199.2
[M]+	416.17419	202.3
[M]-	416.17529	202.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.18202

199.9

[M+Na]+

439.16396

208.3

[M-H]-

415.16746

202.5

[M+NH4]+

434.20856

208.3

[M+K]+

455.13790

203.7

[M+H-H2O]+

399.17200

189.8

[M+HCOO]-

461.17294

211.6

[M+CH3COO]-

475.18859

227.6

[M+Na-2H]-

437.14941

199.2

[M]+

416.17419

202.3

[M]-

416.17529

202.3

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

2h-pyrido[1,2-a]pyrazine-1,8-dione, 7-(2,2-dimethyl-1-oxopropyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-methoxymethyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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