CID 110769

3-phenethylamino-1-phenyl-2-pyrrolidinone hydrochloride

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1CN(C(=O)C1NCCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c21-18-17(19-13-11-15-7-3-1-4-8-15)12-14-20(18)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKey
XGUJIJCSZGHTHK-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.7
[M+Na]+ 303.14678 170.9
[M-H]- 279.15028 173.4
[M+NH4]+ 298.19138 181.1
[M+K]+ 319.12072 165.6
[M+H-H2O]+ 263.15482 156.2
[M+HCOO]- 325.15576 188.1
[M+CH3COO]- 339.17141 176.6
[M+Na-2H]- 301.13223 168.4
[M]+ 280.15701 162.7
[M]- 280.15811 162.7
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

No patent data available for this compound.