CID 10432109

6-fluoro-1-(2-naphthyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; methanesulfonic acid

Structural Information

Molecular Formula
C24H20FN3O3
SMILES
C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F
InChI
InChI=1S/C24H20FN3O3/c25-20-12-18-21(13-22(20)27-9-7-26-8-10-27)28(14-19(23(18)29)24(30)31)17-6-5-15-3-1-2-4-16(15)11-17/h1-6,11-14,26H,7-10H2,(H,30,31)
InChIKey
IDFSPICVJLKCRS-UHFFFAOYSA-N
Compound name
6-fluoro-1-naphthalen-2-yl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.14886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.15614 201.1
[M+Na]+ 440.13808 209.1
[M-H]- 416.14158 204.4
[M+NH4]+ 435.18268 206.8
[M+K]+ 456.11202 200.1
[M+H-H2O]+ 400.14612 187.6
[M+HCOO]- 462.14706 210.8
[M+CH3COO]- 476.16271 207.6
[M+Na-2H]- 438.12353 203.2
[M]+ 417.14831 196.6
[M]- 417.14941 196.6
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.