CID 416359

16148-06-4

Structural Information

Molecular Formula
C19H21N3O
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H21N3O/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/h1-9,16H,10-14H2,(H,20,23)
InChIKey
WMPRRSYNQDCNCE-UHFFFAOYSA-N
Compound name
3-(1-benzylpiperidin-4-yl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

307.16846 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.175736 173.1
[M+Na]+ 330.157678 180.6
[M-H]- 306.161184 178.1
[M+NH4]+ 325.202283 185.4
[M+K]+ 346.131618 173.0
[M+H-H2O]+ 290.165720 162.2
[M+HCOO]- 352.166661 189.5
[M+CH3COO]- 366.182311 182.7
[M+Na-2H]- 328.143126 176.0
[M]+ 307.16791142 169.4
[M]- 307.16900858 169.4
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