CID 2831496

1-(4-(chlorophenoxy)acetyl)-4-phenyl-2-pyrrolidinone

Structural Information

Molecular Formula
C18H16ClNO3
SMILES
C1C(CN(C1=O)C(=O)COC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H16ClNO3/c19-15-6-8-16(9-7-15)23-12-18(22)20-11-14(10-17(20)21)13-4-2-1-3-5-13/h1-9,14H,10-12H2
InChIKey
BFXUPXZAPMLLGY-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

329.08188 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08916 174.9
[M+Na]+ 352.07110 189.2
[M+NH4]+ 347.11570 182.8
[M+K]+ 368.04504 183.0
[M-H]- 328.07460 179.6
[M+Na-2H]- 350.05655 183.1
[M]+ 329.08133 178.5
[M]- 329.08243 178.5
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

patents stripe