CID 135446080

3-quinolinecarboxylic acid, 7-[4-[[(3z)-3-[(aminocarbonyl)hydrazono]-5-bromo-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
C27H25BrFN7O5
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CN5C6=C(C=C(C=C6)Br)C(=C5O)N=NC(=O)N)F)C(=O)O
InChI
InChI=1S/C27H25BrFN7O5/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
QLHKUGZOTUDSHA-UHFFFAOYSA-N
Compound name
7-[4-[[5-bromo-3-(carbamoyldiazenyl)-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

625.10846 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.11574 236.8
[M+Na]+ 648.09768 246.8
[M-H]- 624.10118 246.8
[M+NH4]+ 643.14228 235.8
[M+K]+ 664.07162 231.9
[M+H-H2O]+ 608.10572 232.1
[M+HCOO]- 670.10666 248.4
[M+CH3COO]- 684.12231 242.7
[M+Na-2H]- 646.08313 234.8
[M]+ 625.10791 255.9
[M]- 625.10901 255.9
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.