CID 135491414

3-quinolinecarboxylic acid, 7-[4-[[(3z)-3-[(aminothioxomethyl)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
C27H26FN7O4S
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CN5C6=CC=CC=C6C(=C5O)N=NC(=S)N)F)C(=O)O
InChI
InChI=1S/C27H26FN7O4S/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
OBUYAQLPPNIYFA-UHFFFAOYSA-N
Compound name
7-[4-[[3-(carbamothioyldiazenyl)-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

563.1751 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.18238 228.6
[M+Na]+ 586.16432 237.1
[M-H]- 562.16782 236.2
[M+NH4]+ 581.20892 226.3
[M+K]+ 602.13826 227.3
[M+H-H2O]+ 546.17236 219.2
[M+HCOO]- 608.17330 238.2
[M+CH3COO]- 622.18895 233.2
[M+Na-2H]- 584.14977 226.3
[M]+ 563.17455 231.9
[M]- 563.17565 231.9
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.