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 168.2
[M+Na]+ 322.06054 177.6
[M-H]- 298.06404 176.8
[M+NH4]+ 317.10514 184.6
[M+K]+ 338.03448 171.0
[M+H-H2O]+ 282.06858 160.0
[M+HCOO]- 344.06952 185.6
[M+CH3COO]- 358.08517 180.3
[M+Na-2H]- 320.04599 168.8
[M]+ 299.07077 169.3
[M]- 299.07187 169.3
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.