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

49
Patents

229.1215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 151.5
[M+Na]+ 252.11072 160.5
[M-H]- 228.11422 155.7
[M+NH4]+ 247.15532 170.0
[M+K]+ 268.08466 157.0
[M+H-H2O]+ 212.11876 142.9
[M+HCOO]- 274.11970 171.6
[M+CH3COO]- 288.13535 163.9
[M+Na-2H]- 250.09617 153.6
[M]+ 229.12095 151.7
[M]- 229.12205 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