CID 6476072

(3r,4r)-2,5-dioxopyrrolidine-3,4-diyl (2e,2'e)bis[3-(3,4-dihydroxyphenyl)acrylate]

Structural Information

Molecular Formula
C22H17NO10
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O[C@H]2C(=O)NC(=O)[C@@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
InChI
InChI=1S/C22H17NO10/c24-13-5-1-11(9-15(13)26)3-7-17(28)32-19-20(22(31)23-21(19)30)33-18(29)8-4-12-2-6-14(25)16(27)10-12/h1-10,19-20,24-27H,(H,23,30,31)/b7-3+,8-4+/t19-,20-/m1/s1
InChIKey
MIRKVSPRTBICFD-IABMMNSOSA-N
Compound name
[(3R,4R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,5-dioxopyrrolidin-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.08524 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.09252 199.0
[M+Na]+ 478.07446 203.9
[M-H]- 454.07796 201.6
[M+NH4]+ 473.11906 203.9
[M+K]+ 494.04840 199.9
[M+H-H2O]+ 438.08250 190.9
[M+HCOO]- 500.08344 211.6
[M+CH3COO]- 514.09909 221.1
[M+Na-2H]- 476.05991 193.2
[M]+ 455.08469 198.9
[M]- 455.08579 198.9
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.