CID 483593

100504-83-4

Structural Information

Molecular Formula
C17H19FN4O3
SMILES
CC1CN(CCN1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
InChI
InChI=1S/C17H19FN4O3/c1-9-7-21(5-4-19-9)16-13(18)6-11-14(23)12(17(24)25)8-22(10-2-3-10)15(11)20-16/h6,8-10,19H,2-5,7H2,1H3,(H,24,25)
InChIKey
JWVOMVNDMVBEDU-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

346.1441 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15138 192.3
[M+Na]+ 369.13332 202.2
[M-H]- 345.13682 194.0
[M+NH4]+ 364.17792 195.2
[M+K]+ 385.10726 193.4
[M+H-H2O]+ 329.14136 181.3
[M+HCOO]- 391.14230 202.0
[M+CH3COO]- 405.15795 199.0
[M+Na-2H]- 367.11877 191.0
[M]+ 346.14355 189.8
[M]- 346.14465 189.8
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.