CID 12003326

Avenanthramide g

Structural Information

Molecular Formula
C16H13NO5
SMILES
C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=CC(=C2)O)C(=O)O)O
InChI
InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-9-12(19)6-7-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+
InChIKey
QSUPRDNLJSCNSD-FPYGCLRLSA-N
Compound name
4-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

299.07938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 168.1
[M+Na]+ 322.06860 178.8
[M+NH4]+ 317.11320 172.8
[M+K]+ 338.04254 174.6
[M-H]- 298.07210 169.2
[M+Na-2H]- 320.05405 173.1
[M]+ 299.07883 169.5
[M]- 299.07993 169.5
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