7-[[(3z)-2-(aminomethyl)-3-methoxyimino-4-oxobutyl]amino]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (C18H20FN5O5)

Structural Information

Molecular Formula

SMILES

CO/N=C(\C=O)/C(CN)CNC1=C(C=C2C(=O)C(=CN(C2=N1)C3CC3)C(=O)O)F

InChI

InChI=1S/C18H20FN5O5/c1-29-23-14(8-25)9(5-20)6-21-16-13(19)4-11-15(26)12(18(27)28)7-24(10-2-3-10)17(11)22-16/h4,7-10H,2-3,5-6,20H2,1H3,(H,21,22)(H,27,28)/b23-14+

InChIKey

IDUPDWBWSMATRQ-OEAKJJBVSA-N

Compound name

7-[[(3Z)-2-(aminomethyl)-3-methoxyimino-4-oxobutyl]amino]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-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]+	406.152116	192.4
[M+Na]+	428.134058	200.5
[M-H]-	404.137564	196.4
[M+NH4]+	423.178663	196.0
[M+K]+	444.107998	194.5
[M+H-H2O]+	388.142100	182.9
[M+HCOO]-	450.143041	211.5
[M+CH3COO]-	464.158691	234.4
[M+Na-2H]-	426.119506	192.9
[M]+	405.14429142	196.7
[M]-	405.14538858	196.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.152116

192.4

[M+Na]+

428.134058

200.5

[M-H]-

404.137564

196.4

[M+NH4]+

423.178663

196.0

[M+K]+

444.107998

194.5

[M+H-H2O]+

388.142100

182.9

[M+HCOO]-

450.143041

211.5

[M+CH3COO]-

464.158691

234.4

[M+Na-2H]-

426.119506

192.9

[M]+

405.14429142

196.7

[M]-

405.14538858

196.7

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

7-[[(3z)-2-(aminomethyl)-3-methoxyimino-4-oxobutyl]amino]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe