CID 3053143

1'-(3-chloro-4-methylphenyl)-(1,3'-bipyrrolidine)-2,2',5,5'-tetrone

Structural Information

Molecular Formula
C15H13ClN2O4
SMILES
CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)N3C(=O)CCC3=O)Cl
InChI
InChI=1S/C15H13ClN2O4/c1-8-2-3-9(6-10(8)16)17-14(21)7-11(15(17)22)18-12(19)4-5-13(18)20/h2-3,6,11H,4-5,7H2,1H3
InChIKey
FYRRAHISAIYDDN-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0564 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06368 171.2
[M+Na]+ 343.04562 181.9
[M-H]- 319.04912 179.4
[M+NH4]+ 338.09022 187.5
[M+K]+ 359.01956 176.6
[M+H-H2O]+ 303.05366 164.2
[M+HCOO]- 365.05460 186.5
[M+CH3COO]- 379.07025 205.0
[M+Na-2H]- 341.03107 166.6
[M]+ 320.05585 172.6
[M]- 320.05695 172.6
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.