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

13
Patents

294.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.180496 171.0
[M+Na]+ 317.162438 175.7
[M-H]- 293.165944 178.8
[M+NH4]+ 312.207043 187.7
[M+K]+ 333.136378 171.0
[M+H-H2O]+ 277.170480 161.8
[M+HCOO]- 339.171421 192.2
[M+CH3COO]- 353.187071 181.5
[M+Na-2H]- 315.147886 173.8
[M]+ 294.17267142 167.7
[M]- 294.17376858 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