CID 46886068

Chembl1092613

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1CCN(C1)CC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C19H20N4O/c24-18(13-23-11-3-4-12-23)20-15-9-7-14(8-10-15)19-21-16-5-1-2-6-17(16)22-19/h1-2,5-10H,3-4,11-13H2,(H,20,24)(H,21,22)
InChIKey
AGQMEFZECCORSF-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.1637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 173.4
[M+Na]+ 343.15292 179.6
[M-H]- 319.15642 179.2
[M+NH4]+ 338.19752 186.6
[M+K]+ 359.12686 173.2
[M+H-H2O]+ 303.16096 163.3
[M+HCOO]- 365.16190 192.4
[M+CH3COO]- 379.17755 183.1
[M+Na-2H]- 341.13837 175.1
[M]+ 320.16315 170.6
[M]- 320.16425 170.6
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

No patent data available for this compound.