CID 121552670

N-(1-benzyl-3-phenylpyrrolidin-3-yl)acetamide

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC(=O)NC1(CCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-16(22)20-19(18-10-6-3-7-11-18)12-13-21(15-19)14-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H,20,22)
InChIKey
GNWKKVKEISGFBA-UHFFFAOYSA-N
Compound name
N-(1-benzyl-3-phenylpyrrolidin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

294.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 171.0
[M+Na]+ 317.16244 175.7
[M-H]- 293.16594 178.8
[M+NH4]+ 312.20704 187.7
[M+K]+ 333.13638 171.0
[M+H-H2O]+ 277.17048 161.8
[M+HCOO]- 339.17142 192.2
[M+CH3COO]- 353.18707 181.5
[M+Na-2H]- 315.14789 173.8
[M]+ 294.17267 167.7
[M]- 294.17377 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe