CID 113808

3-(n-methyl-n-phenethylamino)-1-phenyl-2-pyrrolidinone hydrochloride hydrate

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN(CCC1=CC=CC=C1)C2CCN(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-20(14-12-16-8-4-2-5-9-16)18-13-15-21(19(18)22)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKey
GQBFPBKJBHSIED-UHFFFAOYSA-N
Compound name
3-[methyl(2-phenylethyl)amino]-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 170.7
[M+Na]+ 317.16244 175.6
[M-H]- 293.16594 179.8
[M+NH4]+ 312.20704 186.2
[M+K]+ 333.13638 171.5
[M+H-H2O]+ 277.17048 160.9
[M+HCOO]- 339.17142 193.3
[M+CH3COO]- 353.18707 207.7
[M+Na-2H]- 315.14789 172.0
[M]+ 294.17267 169.3
[M]- 294.17377 169.3
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.