CID 3075721

1-(2-hydroxy-3-(diphenylmethylamine)propyl)pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C20H24N2O2
SMILES
C1CC(=O)N(C1)CC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H24N2O2/c23-18(15-22-13-7-12-19(22)24)14-21-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20-21,23H,7,12-15H2
InChIKey
NZWUBIVBYPPDDB-UHFFFAOYSA-N
Compound name
1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 177.9
[M+Na]+ 347.17300 180.0
[M-H]- 323.17650 183.8
[M+NH4]+ 342.21760 190.2
[M+K]+ 363.14694 175.2
[M+H-H2O]+ 307.18104 168.3
[M+HCOO]- 369.18198 196.3
[M+CH3COO]- 383.19763 207.6
[M+Na-2H]- 345.15845 177.7
[M]+ 324.18323 173.6
[M]- 324.18433 173.6
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.