CID 6443019

2-[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid

Structural Information

Molecular Formula
C16H13NO4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+
InChIKey
INBHLTYBRKASIZ-JXMROGBWSA-N
Compound name
2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

386
Patents

283.08447 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 163.3
[M+Na]+ 306.07369 169.2
[M-H]- 282.07719 167.5
[M+NH4]+ 301.11829 177.0
[M+K]+ 322.04763 164.9
[M+H-H2O]+ 266.08173 155.8
[M+HCOO]- 328.08267 184.5
[M+CH3COO]- 342.09832 196.9
[M+Na-2H]- 304.05914 166.0
[M]+ 283.08392 161.7
[M]- 283.08502 161.7
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.