CID 110804

6212-97-1

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]+ 281.164836 165.7
[M+Na]+ 303.146778 170.9
[M-H]- 279.150284 173.4
[M+NH4]+ 298.191383 181.1
[M+K]+ 319.120718 165.6
[M+H-H2O]+ 263.154820 156.2
[M+HCOO]- 325.155761 188.1
[M+CH3COO]- 339.171411 176.6
[M+Na-2H]- 301.132226 168.4
[M]+ 280.15701142 162.7
[M]- 280.15810858 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.