CID 81582

7152-08-1

Structural Information

Molecular Formula
C17H25N3O
SMILES
C1CCN(C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C17H25N3O/c18-16(21)17(20-10-4-5-11-20)8-12-19(13-9-17)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H2,18,21)
InChIKey
LVKUSLBPUHAEAQ-UHFFFAOYSA-N
Compound name
1-benzyl-4-pyrrolidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

287.19977 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 170.3
[M+Na]+ 310.18899 172.6
[M-H]- 286.19249 175.2
[M+NH4]+ 305.23359 185.2
[M+K]+ 326.16293 168.6
[M+H-H2O]+ 270.19703 160.3
[M+HCOO]- 332.19797 185.8
[M+CH3COO]- 346.21362 178.9
[M+Na-2H]- 308.17444 170.1
[M]+ 287.19922 161.6
[M]- 287.20032 161.6
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

patents stripe