CID 110860

2-pyrrolidinone, 5-methyl-3-phenethylamino-1-phenyl-, hydrochloride, (e)-

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1CC(C(=O)N1C2=CC=CC=C2)NCCC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-15-14-18(20-13-12-16-8-4-2-5-9-16)19(22)21(15)17-10-6-3-7-11-17/h2-11,15,18,20H,12-14H2,1H3
InChIKey
QYKPUVMWYRJBMW-UHFFFAOYSA-N
Compound name
5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 170.5
[M+Na]+ 317.16244 176.2
[M-H]- 293.16594 178.5
[M+NH4]+ 312.20704 185.7
[M+K]+ 333.13638 170.7
[M+H-H2O]+ 277.17048 161.1
[M+HCOO]- 339.17142 192.6
[M+CH3COO]- 353.18707 205.5
[M+Na-2H]- 315.14789 171.9
[M]+ 294.17267 168.3
[M]- 294.17377 168.3
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

No patent data available for this compound.