CID 135568427

Brn 4776373

Structural Information

Molecular Formula
C40H31N7O2
SMILES
CC1=CC=CC=C1N=N/C(=N\NC(=O)C2=CC=C(C=C2)N3C(=N/C(=C\C4=C(NC5=CC=CC=C54)C6=CC=CC=C6)/C3=O)C)/C7=CC=CC=C7
InChI
InChI=1S/C40H31N7O2/c1-26-13-9-11-19-34(26)43-44-38(29-16-7-4-8-17-29)45-46-39(48)30-21-23-31(24-22-30)47-27(2)41-36(40(47)49)25-33-32-18-10-12-20-35(32)42-37(33)28-14-5-3-6-15-28/h3-25,42H,1-2H3,(H,46,48)/b36-25-,44-43?,45-38-
InChIKey
LBDSYJLTMANUJY-BGPGRPRESA-N
Compound name
4-[(4Z)-2-methyl-5-oxo-4-[(2-phenyl-1H-indol-3-yl)methylidene]imidazol-1-yl]-N-[(Z)-[[(2-methylphenyl)diazenyl]-phenylmethylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

641.2539 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.261176 250.3
[M+Na]+ 664.243118 253.9
[M-H]- 640.246624 268.6
[M+NH4]+ 659.287723 249.8
[M+K]+ 680.217058 245.2
[M+H-H2O]+ 624.251160 234.9
[M+HCOO]- 686.252101 272.6
[M+CH3COO]- 700.267751 255.2
[M+Na-2H]- 662.228566 248.9
[M]+ 641.25335142 250.5
[M]- 641.25444858 250.5
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.