CID 3063204

2,2'-((2-((3,4-dimethoxyphenyl)methylene)-1,3-dioxo-1,3-propanediyl)diimino)bisbenzoic acid

Structural Information

Molecular Formula
C26H22N2O8
SMILES
COC1=C(C=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O)OC
InChI
InChI=1S/C26H22N2O8/c1-35-21-12-11-15(14-22(21)36-2)13-18(23(29)27-19-9-5-3-7-16(19)25(31)32)24(30)28-20-10-6-4-8-17(20)26(33)34/h3-14H,1-2H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChIKey
VNCCGUAZRCLZNP-UHFFFAOYSA-N
Compound name
2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

490.1376 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.14488 212.9
[M+Na]+ 513.12682 221.4
[M+NH4]+ 508.17142 214.1
[M+K]+ 529.10076 218.9
[M-H]- 489.13032 214.8
[M+Na-2H]- 511.11227 217.3
[M]+ 490.13705 213.9
[M]- 490.13815 213.9
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

patents stripe