CID 14098325

N,n'-dibenzyl-3-aminopyrrolidine

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CN(CC1NCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKey
BHEXKVGLZMEJRQ-UHFFFAOYSA-N
Compound name
N,1-dibenzylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

266.17828 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 162.8
[M+Na]+ 289.16750 166.9
[M-H]- 265.17100 170.1
[M+NH4]+ 284.21210 178.7
[M+K]+ 305.14144 161.7
[M+H-H2O]+ 249.17554 153.2
[M+HCOO]- 311.17648 184.9
[M+CH3COO]- 325.19213 173.5
[M+Na-2H]- 287.15295 166.3
[M]+ 266.17773 158.8
[M]- 266.17883 158.8
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