CID 136106205

Brn 4774875

Structural Information

Molecular Formula
C34H27N7O2
SMILES
CC1=CC=CC=C1N=N/C(=N\NC(=O)C2=CC=C(C=C2)N3C(=N/C(=C/C4=CNC5=CC=CC=C54)/C3=O)C)/C6=CC=CC=C6
InChI
InChI=1S/C34H27N7O2/c1-22-10-6-8-14-29(22)37-38-32(24-11-4-3-5-12-24)39-40-33(42)25-16-18-27(19-17-25)41-23(2)36-31(34(41)43)20-26-21-35-30-15-9-7-13-28(26)30/h3-21,35H,1-2H3,(H,40,42)/b31-20+,38-37?,39-32-
InChIKey
NXGVEKCOZALMOH-HIBLRQEXSA-N
Compound name
4-[(4E)-4-(1H-indol-3-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]-N-[(Z)-[[(2-methylphenyl)diazenyl]-phenylmethylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.2226 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.22988 234.1
[M+Na]+ 588.21182 238.9
[M-H]- 564.21532 250.2
[M+NH4]+ 583.25642 237.3
[M+K]+ 604.18576 230.9
[M+H-H2O]+ 548.21986 220.0
[M+HCOO]- 610.22080 258.1
[M+CH3COO]- 624.23645 240.7
[M+Na-2H]- 586.19727 234.0
[M]+ 565.22205 234.9
[M]- 565.22315 234.9
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.