CID 3053145

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

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)N3C(=O)CCC3=O)C
InChI
InChI=1S/C16H16N2O4/c1-9-3-4-11(10(2)7-9)18-15(21)8-12(16(18)22)17-13(19)5-6-14(17)20/h3-4,7,12H,5-6,8H2,1-2H3
InChIKey
NNZGVNJGDYDGSD-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 166.7
[M+Na]+ 323.100218 176.3
[M-H]- 299.103724 175.1
[M+NH4]+ 318.144823 183.0
[M+K]+ 339.074158 172.4
[M+H-H2O]+ 283.108260 159.5
[M+HCOO]- 345.109201 186.4
[M+CH3COO]- 359.124851 204.4
[M+Na-2H]- 321.085666 162.3
[M]+ 300.11045142 166.6
[M]- 300.11154858 166.6
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.