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 251.7
[M+Na]+ 650.22752 267.3
[M+NH4]+ 645.27212 256.5
[M+K]+ 666.20146 260.3
[M-H]- 626.23102 264.5
[M+Na-2H]- 648.21297 265.1
[M]+ 627.23775 257.4
[M]- 627.23885 257.4
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.