CID 6476071

(3r,4r)-bis-(3,4-dihydroxy-phenyl-acryloyloxy)-1-methyl-pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C23H19NO10
SMILES
CN1C(=O)[C@@H]([C@H](C1=O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C23H19NO10/c1-24-22(31)20(33-18(29)8-4-12-2-6-14(25)16(27)10-12)21(23(24)32)34-19(30)9-5-13-3-7-15(26)17(28)11-13/h2-11,20-21,25-28H,1H3/b8-4+,9-5+/t20-,21-/m1/s1
InChIKey
IXCGJMJQRFILGP-MBZDOXFASA-N
Compound name
[(3R,4R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1-methyl-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

469.1009 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.10818 202.5
[M+Na]+ 492.09012 208.3
[M-H]- 468.09362 206.7
[M+NH4]+ 487.13472 207.9
[M+K]+ 508.06406 204.9
[M+H-H2O]+ 452.09816 194.4
[M+HCOO]- 514.09910 216.2
[M+CH3COO]- 528.11475 227.2
[M+Na-2H]- 490.07557 196.1
[M]+ 469.10035 205.0
[M]- 469.10145 205.0
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.