CID 5000977

2-[1-(1h-benzimidazol-2-yl)-2-phenylethyl]-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C23H17N3O2
SMILES
C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)N4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C23H17N3O2/c27-22-16-10-4-5-11-17(16)23(28)26(22)20(14-15-8-2-1-3-9-15)21-24-18-12-6-7-13-19(18)25-21/h1-13,20H,14H2,(H,24,25)
InChIKey
QKGYAEBXNAMSFT-UHFFFAOYSA-N
Compound name
2-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.13208 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13936 187.4
[M+Na]+ 390.12130 196.6
[M-H]- 366.12480 194.9
[M+NH4]+ 385.16590 199.9
[M+K]+ 406.09524 188.6
[M+H-H2O]+ 350.12934 177.3
[M+HCOO]- 412.13028 205.1
[M+CH3COO]- 426.14593 197.2
[M+Na-2H]- 388.10675 188.0
[M]+ 367.13153 188.0
[M]- 367.13263 188.0
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.