CID 3053139

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

Structural Information

Molecular Formula
C16H16N2O5
SMILES
CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C(=O)CCC3=O
InChI
InChI=1S/C16H16N2O5/c1-2-23-11-5-3-10(4-6-11)17-15(21)9-12(16(17)22)18-13(19)7-8-14(18)20/h3-6,12H,2,7-9H2,1H3
InChIKey
CDDLCGIGQLHIQW-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.113206 169.5
[M+Na]+ 339.095148 178.0
[M-H]- 315.098654 177.5
[M+NH4]+ 334.139753 184.7
[M+K]+ 355.069088 174.7
[M+H-H2O]+ 299.103190 161.8
[M+HCOO]- 361.104131 189.4
[M+CH3COO]- 375.119781 205.3
[M+Na-2H]- 337.080596 165.9
[M]+ 316.10538142 170.4
[M]- 316.10647858 170.4
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

No patent data available for this compound.