CID 3063206

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

Structural Information

Molecular Formula
C24H17ClN2O6
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C24H17ClN2O6/c25-15-11-9-14(10-12-15)13-18(21(28)26-19-7-3-1-5-16(19)23(30)31)22(29)27-20-8-4-2-6-17(20)24(32)33/h1-13H,(H,26,28)(H,27,29)(H,30,31)(H,32,33)
InChIKey
NVRNOVMHUUGOTO-UHFFFAOYSA-N
Compound name
2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.0775 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.08478 204.3
[M+Na]+ 487.06672 207.6
[M-H]- 463.07022 211.1
[M+NH4]+ 482.11132 210.1
[M+K]+ 503.04066 202.8
[M+H-H2O]+ 447.07476 195.6
[M+HCOO]- 509.07570 218.4
[M+CH3COO]- 523.09135 232.7
[M+Na-2H]- 485.05217 202.1
[M]+ 464.07695 204.9
[M]- 464.07805 204.9
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.