CID 43521039

4-amino-1-(4-phenoxyphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C1C(CN(C1=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N
InChI
InChI=1S/C16H16N2O2/c17-12-10-16(19)18(11-12)13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h1-9,12H,10-11,17H2
InChIKey
OIRCOVVOPYGRHM-UHFFFAOYSA-N
Compound name
4-amino-1-(4-phenoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 160.5
[M+Na]+ 291.11042 167.4
[M-H]- 267.11392 168.6
[M+NH4]+ 286.15502 176.4
[M+K]+ 307.08436 162.9
[M+H-H2O]+ 251.11846 151.6
[M+HCOO]- 313.11940 183.2
[M+CH3COO]- 327.13505 172.3
[M+Na-2H]- 289.09587 162.6
[M]+ 268.12065 157.7
[M]- 268.12175 157.7
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.