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 175.6
[M+Na]+ 352.07110 183.2
[M-H]- 328.07460 183.9
[M+NH4]+ 347.11570 190.4
[M+K]+ 368.04504 177.6
[M+H-H2O]+ 312.07914 167.1
[M+HCOO]- 374.08008 191.9
[M+CH3COO]- 388.09573 204.9
[M+Na-2H]- 350.05655 175.4
[M]+ 329.08133 177.4
[M]- 329.08243 177.4
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