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]+ 403.12886 193.7
[M+Na]+ 425.11080 196.0
[M-H]- 401.11430 200.1
[M+NH4]+ 420.15540 200.9
[M+K]+ 441.08474 191.7
[M+H-H2O]+ 385.11884 183.8
[M+HCOO]- 447.11978 212.9
[M+CH3COO]- 461.13543 222.4
[M+Na-2H]- 423.09625 193.8
[M]+ 402.12103 190.4
[M]- 402.12213 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.