CID 3073531

1-(2-oxopyrrolidin-1-yl)-1-(benzimidazol-1-yl)ethane

Structural Information

Molecular Formula
C13H15N3O
SMILES
CC(N1CCCC1=O)N2C=NC3=CC=CC=C32
InChI
InChI=1S/C13H15N3O/c1-10(15-8-4-7-13(15)17)16-9-14-11-5-2-3-6-12(11)16/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKey
HYCKLLPAYBILLD-UHFFFAOYSA-N
Compound name
1-[1-(benzimidazol-1-yl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

229.1215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 151.5
[M+Na]+ 252.110718 160.5
[M-H]- 228.114224 155.7
[M+NH4]+ 247.155323 170.0
[M+K]+ 268.084658 157.0
[M+H-H2O]+ 212.118760 142.9
[M+HCOO]- 274.119701 171.6
[M+CH3COO]- 288.135351 163.9
[M+Na-2H]- 250.096166 153.6
[M]+ 229.12095142 151.7
[M]- 229.12204858 151.7
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

patents stripe