CID 3063203

100093-39-8

Structural Information

Molecular Formula
C24H18N2O6
SMILES
C1=CC=C(C=C1)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C24H18N2O6/c27-21(25-18-10-6-16(7-11-18)23(29)30)20(14-15-4-2-1-3-5-15)22(28)26-19-12-8-17(9-13-19)24(31)32/h1-14H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
InChIKey
CVIJHIQLUPIDRR-UHFFFAOYSA-N
Compound name
4-[[2-[(4-carboxyphenyl)carbamoyl]-3-phenylprop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 199.2
[M+Na]+ 453.10572 200.7
[M-H]- 429.10922 205.5
[M+NH4]+ 448.15032 204.9
[M+K]+ 469.07966 197.3
[M+H-H2O]+ 413.11376 189.2
[M+HCOO]- 475.11470 217.4
[M+CH3COO]- 489.13035 228.0
[M+Na-2H]- 451.09117 197.9
[M]+ 430.11595 196.4
[M]- 430.11705 196.4
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