CID 25199219

7-[4-(5-chloro-2-oxo-3h-benzimidazol-1-yl)-1-piperidyl]-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C25H22ClN5O6
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)N5C6=C(C=C(C=C6)Cl)NC5=O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C25H22ClN5O6/c26-13-1-4-19-18(9-13)27-25(35)30(19)15-5-7-28(8-6-15)21-11-20-16(10-22(21)31(36)37)23(32)17(24(33)34)12-29(20)14-2-3-14/h1,4,9-12,14-15H,2-3,5-8H2,(H,27,35)(H,33,34)
InChIKey
LOXYVFFHOMGTQK-UHFFFAOYSA-N
Compound name
7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

523.12585 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.13313 219.0
[M+Na]+ 546.11507 226.7
[M-H]- 522.11857 225.8
[M+NH4]+ 541.15967 216.7
[M+K]+ 562.08901 213.3
[M+H-H2O]+ 506.12311 213.3
[M+HCOO]- 568.12405 225.9
[M+CH3COO]- 582.13970 236.2
[M+Na-2H]- 544.10052 219.3
[M]+ 523.12530 220.3
[M]- 523.12640 220.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.