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]+ 303.09755 165.0
[M+Na]+ 325.07949 174.0
[M-H]- 301.08299 173.2
[M+NH4]+ 320.12409 180.9
[M+K]+ 341.05343 170.9
[M+H-H2O]+ 285.08753 157.5
[M+HCOO]- 347.08847 185.3
[M+CH3COO]- 361.10412 202.3
[M+Na-2H]- 323.06494 162.0
[M]+ 302.08972 165.6
[M]- 302.09082 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.