CID 387167

Nsc680681

Structural Information

Molecular Formula
C30H24N4O
SMILES
C1=CC=C(C=C1)C2C(=CC(=O)N2C3=CC=CC=C3)NC(C4=CC=CC=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C30H24N4O/c35-27-20-26(29(22-14-6-2-7-15-22)34(27)23-16-8-3-9-17-23)31-28(21-12-4-1-5-13-21)30-32-24-18-10-11-19-25(24)33-30/h1-20,28-29,31H,(H,32,33)
InChIKey
CONLNWLARBBETM-UHFFFAOYSA-N
Compound name
3-[[1H-benzimidazol-2-yl(phenyl)methyl]amino]-1,2-diphenyl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.195 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20228 206.9
[M+Na]+ 479.18422 212.8
[M-H]- 455.18772 218.9
[M+NH4]+ 474.22882 213.4
[M+K]+ 495.15816 203.3
[M+H-H2O]+ 439.19226 194.3
[M+HCOO]- 501.19320 225.2
[M+CH3COO]- 515.20885 214.5
[M+Na-2H]- 477.16967 206.7
[M]+ 456.19445 204.5
[M]- 456.19555 204.5
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.