CID 6477566

Nsc690950

Structural Information

Molecular Formula
C23H18N2O5
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2O)/C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C23H18N2O5/c26-20-13-7-4-10-16(20)14-19(25-21(27)15-8-2-1-3-9-15)22(28)24-18-12-6-5-11-17(18)23(29)30/h1-14,26H,(H,24,28)(H,25,27)(H,29,30)/b19-14-
InChIKey
CMLYJMIMIITALH-RGEXLXHISA-N
Compound name
2-[[(Z)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.12158 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.128856 193.7
[M+Na]+ 425.110798 196.0
[M-H]- 401.114304 200.1
[M+NH4]+ 420.155403 200.9
[M+K]+ 441.084738 191.7
[M+H-H2O]+ 385.118840 183.8
[M+HCOO]- 447.119781 212.9
[M+CH3COO]- 461.135431 222.4
[M+Na-2H]- 423.096246 193.8
[M]+ 402.12103142 190.4
[M]- 402.12212858 190.4
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

No patent data available for this compound.