CID 136106210

134248-56-9

Structural Information

Molecular Formula
C39H29N7O2
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)C6=CC=CC=C6)/C7=CC=CC=C7
InChI
InChI=1S/C39H29N7O2/c1-26-12-8-10-18-33(26)42-43-36(27-13-4-2-5-14-27)44-45-38(47)29-20-22-31(23-21-29)46-37(28-15-6-3-7-16-28)41-35(39(46)48)24-30-25-40-34-19-11-9-17-32(30)34/h2-25,40H,1H3,(H,45,47)/b35-24+,43-42?,44-36-
InChIKey
FZAYSAQPVAADQJ-XAHDNNQJSA-N
Compound name
4-[(4E)-4-(1H-indol-3-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-N-[(Z)-[[(2-methylphenyl)diazenyl]-phenylmethylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

627.2383 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.24558 244.2
[M+Na]+ 650.22752 247.5
[M-H]- 626.23102 262.3
[M+NH4]+ 645.27212 244.0
[M+K]+ 666.20146 238.9
[M+H-H2O]+ 610.23556 228.9
[M+HCOO]- 672.23650 266.9
[M+CH3COO]- 686.25215 249.3
[M+Na-2H]- 648.21297 244.1
[M]+ 627.23775 243.7
[M]- 627.23885 243.7
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.