CID 136106211

Brn 4775895

Structural Information

Molecular Formula
C38H26ClN7O2
SMILES
C1=CC=C(C=C1)C2=N/C(=C/C3=CNC4=CC=CC=C43)/C(=O)N2C5=CC=C(C=C5)C(=O)N/N=C(/C6=CC=CC=C6)\N=NC7=CC=C(C=C7)Cl
InChI
InChI=1S/C38H26ClN7O2/c39-29-17-19-30(20-18-29)42-43-35(25-9-3-1-4-10-25)44-45-37(47)27-15-21-31(22-16-27)46-36(26-11-5-2-6-12-26)41-34(38(46)48)23-28-24-40-33-14-8-7-13-32(28)33/h1-24,40H,(H,45,47)/b34-23+,43-42?,44-35-
InChIKey
GCSHGTZUJZDNMA-FVGXMQFUSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-4-[(4E)-4-(1H-indol-3-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

647.18365 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.19093 249.6
[M+Na]+ 670.17287 254.1
[M-H]- 646.17637 267.3
[M+NH4]+ 665.21747 249.5
[M+K]+ 686.14681 244.8
[M+H-H2O]+ 630.18091 234.1
[M+HCOO]- 692.18185 268.1
[M+CH3COO]- 706.19750 254.5
[M+Na-2H]- 668.15832 249.1
[M]+ 647.18310 251.7
[M]- 647.18420 251.7
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.