CID 3053138

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

Structural Information

Molecular Formula
C15H14N2O5
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C(=O)CCC3=O
InChI
InChI=1S/C15H14N2O5/c1-22-10-4-2-9(3-5-10)16-14(20)8-11(15(16)21)17-12(18)6-7-13(17)19/h2-5,11H,6-8H2,1H3
InChIKey
VZDOTNLWUSPEEH-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09027 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.097546 165.0
[M+Na]+ 325.079488 174.0
[M-H]- 301.082994 173.2
[M+NH4]+ 320.124093 180.9
[M+K]+ 341.053428 170.9
[M+H-H2O]+ 285.087530 157.5
[M+HCOO]- 347.088471 185.3
[M+CH3COO]- 361.104121 202.3
[M+Na-2H]- 323.064936 162.0
[M]+ 302.08972142 165.6
[M]- 302.09081858 165.6
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.