CID 101688490

Avenanthramide l

Structural Information

Molecular Formula
C18H15NO5
SMILES
C1=CC(=CC=C1/C=C/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O
InChI
InChI=1S/C18H15NO5/c20-13-7-5-12(6-8-13)3-1-2-4-17(22)19-16-10-9-14(21)11-15(16)18(23)24/h1-11,20-21H,(H,19,22)(H,23,24)/b3-1+,4-2+
InChIKey
FRNDILDQFSAXAR-ZPUQHVIOSA-N
Compound name
5-hydroxy-2-[[(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

325.09503 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 176.1
[M+Na]+ 348.08425 186.5
[M+NH4]+ 343.12885 180.2
[M+K]+ 364.05819 181.7
[M-H]- 324.08775 177.0
[M+Na-2H]- 346.06970 180.5
[M]+ 325.09448 177.3
[M]- 325.09558 177.3
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