CID 11796969

6-fluoro-7-(3-methyl-1-piperazinyl)-1-(1-naphthyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid methanesulfonate

Structural Information

Molecular Formula
C24H21FN4O3
SMILES
CC1CN(CCN1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC=CC5=CC=CC=C54)C(=O)O)F
InChI
InChI=1S/C24H21FN4O3/c1-14-12-28(10-9-26-14)23-19(25)11-17-21(30)18(24(31)32)13-29(22(17)27-23)20-8-4-6-15-5-2-3-7-16(15)20/h2-8,11,13-14,26H,9-10,12H2,1H3,(H,31,32)
InChIKey
ZVRMCZAJPADLFU-UHFFFAOYSA-N
Compound name
6-fluoro-7-(3-methylpiperazin-1-yl)-1-naphthalen-1-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.15976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16704 207.7
[M+Na]+ 455.14898 216.5
[M-H]- 431.15248 210.1
[M+NH4]+ 450.19358 211.7
[M+K]+ 471.12292 207.1
[M+H-H2O]+ 415.15702 193.6
[M+HCOO]- 477.15796 215.9
[M+CH3COO]- 491.17361 213.6
[M+Na-2H]- 453.13443 208.9
[M]+ 432.15921 204.0
[M]- 432.16031 204.0
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.