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]+ 325.191056 177.9
[M+Na]+ 347.172998 180.0
[M-H]- 323.176504 183.8
[M+NH4]+ 342.217603 190.2
[M+K]+ 363.146938 175.2
[M+H-H2O]+ 307.181040 168.3
[M+HCOO]- 369.181981 196.3
[M+CH3COO]- 383.197631 207.6
[M+Na-2H]- 345.158446 177.7
[M]+ 324.18323142 173.6
[M]- 324.18432858 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.