CID 135491408

3-quinolinecarboxylic acid, 7-[4-[[(3z)-3-[(aminocarbonyl)hydrazono]-5-chloro-2,3-dihydro-2-oxo-1h-indol-1-yl]methyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

Structural Information

Molecular Formula
C27H25ClFN7O5
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CN5C6=C(C=C(C=C6)Cl)C(=C5O)N=NC(=O)N)F)C(=O)O
InChI
InChI=1S/C27H25ClFN7O5/c28-14-1-4-20-16(9-14)23(31-32-27(30)41)25(38)36(20)13-33-5-7-34(8-6-33)22-11-21-17(10-19(22)29)24(37)18(26(39)40)12-35(21)15-2-3-15/h1,4,9-12,15,38H,2-3,5-8,13H2,(H2,30,41)(H,39,40)
InChIKey
AXVPGBFKNGYZSX-UHFFFAOYSA-N
Compound name
7-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

581.159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.16628 235.5
[M+Na]+ 604.14822 244.8
[M-H]- 580.15172 243.5
[M+NH4]+ 599.19282 232.7
[M+K]+ 620.12216 235.5
[M+H-H2O]+ 564.15626 225.0
[M+HCOO]- 626.15720 244.9
[M+CH3COO]- 640.17285 240.1
[M+Na-2H]- 602.13367 232.3
[M]+ 581.15845 240.3
[M]- 581.15955 240.3
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.