CID 3062455

Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-

Structural Information

Molecular Formula
C24H18N2O6
SMILES
C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C24H18N2O6/c27-21(25-19-12-6-4-10-16(19)23(29)30)18(14-15-8-2-1-3-9-15)22(28)26-20-13-7-5-11-17(20)24(31)32/h1-14H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
InChIKey
RNVMJUCFJAEWSG-UHFFFAOYSA-N
Compound name
2-[[2-[(2-carboxyphenyl)carbamoyl]-3-phenylprop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

430.1165 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12378 199.8
[M+Na]+ 453.10572 209.0
[M+NH4]+ 448.15032 202.6
[M+K]+ 469.07966 205.4
[M-H]- 429.10922 202.7
[M+Na-2H]- 451.09117 205.9
[M]+ 430.11595 201.3
[M]- 430.11705 201.3
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