CID 3071505

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

Structural Information

Molecular Formula
C18H15Cl2NO3
SMILES
C1C(CN(C1=O)C(=O)COC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15Cl2NO3/c19-14-3-1-12(2-4-14)13-9-17(22)21(10-13)18(23)11-24-16-7-5-15(20)6-8-16/h1-8,13H,9-11H2
InChIKey
PYFVQSXJADVFPM-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)acetyl]-4-(4-chlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.0429 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05018 181.9
[M+Na]+ 386.03212 190.8
[M-H]- 362.03562 189.7
[M+NH4]+ 381.07672 196.0
[M+K]+ 402.00606 184.1
[M+H-H2O]+ 346.04016 174.0
[M+HCOO]- 408.04110 193.0
[M+CH3COO]- 422.05675 210.2
[M+Na-2H]- 384.01757 180.2
[M]+ 363.04235 185.4
[M]- 363.04345 185.4
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