CID 117909

N-[4-(2-benzimidazolyl)phenyl]maleimide

Structural Information

Molecular Formula
C17H11N3O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N4C(=O)C=CC4=O
InChI
InChI=1S/C17H11N3O2/c21-15-9-10-16(22)20(15)12-7-5-11(6-8-12)17-18-13-3-1-2-4-14(13)19-17/h1-10H,(H,18,19)
InChIKey
NZDOXVCRXDAVII-UHFFFAOYSA-N
Compound name
1-[4-(1H-benzimidazol-2-yl)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

987
Patents

289.0851 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.092376 164.7
[M+Na]+ 312.074318 176.0
[M-H]- 288.077824 172.0
[M+NH4]+ 307.118923 180.0
[M+K]+ 328.048258 169.3
[M+H-H2O]+ 272.082360 155.7
[M+HCOO]- 334.083301 186.1
[M+CH3COO]- 348.098951 177.0
[M+Na-2H]- 310.059766 167.1
[M]+ 289.08455142 165.5
[M]- 289.08564858 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe