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

396
Patents

283.08447 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.091746 163.3
[M+Na]+ 306.073688 169.2
[M-H]- 282.077194 167.5
[M+NH4]+ 301.118293 177.0
[M+K]+ 322.047628 164.9
[M+H-H2O]+ 266.081730 155.8
[M+HCOO]- 328.082671 184.5
[M+CH3COO]- 342.098321 196.9
[M+Na-2H]- 304.059136 166.0
[M]+ 283.08392142 161.7
[M]- 283.08501858 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

literature stripe

Patent stripe

patents stripe