CID 3047346

63290-61-9

Structural Information

Molecular Formula
C17H14ClNO2
SMILES
C1C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H14ClNO2/c18-14-8-6-13(7-9-14)15-10-16(20)19(17(15)21)11-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKey
DALUVQZUHBXCPS-UHFFFAOYSA-N
Compound name
1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07132 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07860 167.6
[M+Na]+ 322.06054 183.4
[M+NH4]+ 317.10514 176.4
[M+K]+ 338.03448 176.1
[M-H]- 298.06404 173.1
[M+Na-2H]- 320.04599 176.6
[M]+ 299.07077 171.8
[M]- 299.07187 171.8
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.