CID 96482

60373-71-9

Structural Information

Molecular Formula
C19H19N3O
SMILES
C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H19N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-10H,11-14H2,(H,20,23)
InChIKey
FKCKAEJWXGMCFZ-UHFFFAOYSA-N
Compound name
3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

305.1528 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.160076 172.0
[M+Na]+ 328.142018 180.5
[M-H]- 304.145524 177.4
[M+NH4]+ 323.186623 184.4
[M+K]+ 344.115958 172.7
[M+H-H2O]+ 288.150060 161.2
[M+HCOO]- 350.151001 189.8
[M+CH3COO]- 364.166651 182.1
[M+Na-2H]- 326.127466 175.9
[M]+ 305.15225142 169.7
[M]- 305.15334858 169.7
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