CID 135491411

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

Structural Information

Molecular Formula
C28H28FN7O5
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)N)O)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F
InChI
InChI=1S/C28H28FN7O5/c1-15-2-5-21-17(10-15)24(31-32-28(30)41)26(38)36(21)14-33-6-8-34(9-7-33)23-12-22-18(11-20(23)29)25(37)19(27(39)40)13-35(22)16-3-4-16/h2,5,10-13,16,38H,3-4,6-9,14H2,1H3,(H2,30,41)(H,39,40)
InChIKey
ALDHKQFSTRPYMQ-UHFFFAOYSA-N
Compound name
7-[4-[[3-(carbamoyldiazenyl)-2-hydroxy-5-methylindol-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

561.2136 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.22088 236.2
[M+Na]+ 584.20282 244.7
[M-H]- 560.20632 244.6
[M+NH4]+ 579.24742 233.3
[M+K]+ 600.17676 235.8
[M+H-H2O]+ 544.21086 225.3
[M+HCOO]- 606.21180 249.5
[M+CH3COO]- 620.22745 240.8
[M+Na-2H]- 582.18827 232.8
[M]+ 561.21305 239.0
[M]- 561.21415 239.0
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.