CID 110804

4-(phenethylamino)-1-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1C(CN(C1=O)C2=CC=CC=C2)NCCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c21-18-13-16(14-20(18)17-9-5-2-6-10-17)19-12-11-15-7-3-1-4-8-15/h1-10,16,19H,11-14H2
InChIKey
NZXDMTPYTKPXCD-UHFFFAOYSA-N
Compound name
1-phenyl-4-(2-phenylethylamino)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 168.6
[M+Na]+ 303.14678 181.6
[M+NH4]+ 298.19138 177.1
[M+K]+ 319.12072 174.6
[M-H]- 279.15028 174.8
[M+Na-2H]- 301.13223 177.9
[M]+ 280.15701 172.1
[M]- 280.15811 172.1
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.