CID 135491413

3-quinolinecarboxylic acid, 7-[4-[[(3z)-3-[(aminocarbonyl)hydrazono]-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
C27H26FN7O5
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CN5C6=CC=CC=C6C(=C5O)N=NC(=O)N)F)C(=O)O
InChI
InChI=1S/C27H26FN7O5/c28-19-11-17-21(34(15-5-6-15)13-18(24(17)36)26(38)39)12-22(19)33-9-7-32(8-10-33)14-35-20-4-2-1-3-16(20)23(25(35)37)30-31-27(29)40/h1-4,11-13,15,37H,5-10,14H2,(H2,29,40)(H,38,39)
InChIKey
GGQNSDJIQDQMKO-UHFFFAOYSA-N
Compound name
7-[4-[[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

547.19794 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.20522 230.4
[M+Na]+ 570.18716 238.6
[M-H]- 546.19066 238.6
[M+NH4]+ 565.23176 227.8
[M+K]+ 586.16110 229.8
[M+H-H2O]+ 530.19520 219.4
[M+HCOO]- 592.19614 244.2
[M+CH3COO]- 606.21179 235.1
[M+Na-2H]- 568.17261 228.3
[M]+ 547.19739 232.4
[M]- 547.19849 232.4
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.