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 172.3
[M+Na]+ 317.16244 185.3
[M+NH4]+ 312.20704 181.0
[M+K]+ 333.13638 178.6
[M-H]- 293.16594 178.8
[M+Na-2H]- 315.14789 181.6
[M]+ 294.17267 176.0
[M]- 294.17377 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.