CID 504842

4,8-dihydroxy-n-[(1s)-2-[2-(2-hydroxybenzoyl)hydrazino]-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]quinoline-2-carboxamide

Structural Information

Molecular Formula
C28H23N5O6
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NNC(=O)C3=CC=CC=C3O)NC(=O)C4=CC(=O)C5=C(N4)C(=CC=C5)O
InChI
InChI=1S/C28H23N5O6/c34-22-10-4-2-7-18(22)26(37)32-33-28(39)20(12-15-14-29-19-9-3-1-6-16(15)19)31-27(38)21-13-24(36)17-8-5-11-23(35)25(17)30-21/h1-11,13-14,20,29,34-35H,12H2,(H,30,36)(H,31,38)(H,32,37)(H,33,39)/t20-/m0/s1
InChIKey
QCCOYYHMUHNNLY-FQEVSTJZSA-N
Compound name
8-hydroxy-N-[(2S)-1-[2-(2-hydroxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-oxo-1H-quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.16486 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.17214 214.0
[M+Na]+ 548.15408 216.8
[M-H]- 524.15758 218.8
[M+NH4]+ 543.19868 216.0
[M+K]+ 564.12802 211.9
[M+H-H2O]+ 508.16212 204.0
[M+HCOO]- 570.16306 228.3
[M+CH3COO]- 584.17871 218.8
[M+Na-2H]- 546.13953 216.4
[M]+ 525.16431 212.2
[M]- 525.16541 212.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.