CID 6477032

Nsc623904

Structural Information

Molecular Formula
C38H28N6O2
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)/C=C(/C3=NC4=CC=CC=C4N3)\NC(=O)C5=CC=CC=C5)/C6=NC7=CC=CC=C7N6
InChI
InChI=1S/C38H28N6O2/c45-37(27-11-3-1-4-12-27)43-33(35-39-29-15-7-8-16-30(29)40-35)23-25-19-21-26(22-20-25)24-34(44-38(46)28-13-5-2-6-14-28)36-41-31-17-9-10-18-32(31)42-36/h1-24H,(H,39,40)(H,41,42)(H,43,45)(H,44,46)/b33-23-,34-24+
InChIKey
AFVNBVDFNWYIBJ-HUMGCQOQSA-N
Compound name
N-[(Z)-2-[4-[(E)-2-benzamido-2-(1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(1H-benzimidazol-2-yl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.22736 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.23464 230.3
[M+Na]+ 623.21658 232.2
[M-H]- 599.22008 240.5
[M+NH4]+ 618.26118 228.6
[M+K]+ 639.19052 222.1
[M+H-H2O]+ 583.22462 217.3
[M+HCOO]- 645.22556 243.9
[M+CH3COO]- 659.24121 233.6
[M+Na-2H]- 621.20203 231.0
[M]+ 600.22681 227.1
[M]- 600.22791 227.1
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.