CID 10245047

Avenanthramide e

Structural Information

Molecular Formula
C17H15NO5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7+
InChIKey
FSKJPXSYWQUVGO-VQHVLOKHSA-N
Compound name
2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

402
Patents

313.09503 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 170.4
[M+Na]+ 336.08425 176.5
[M-H]- 312.08775 174.7
[M+NH4]+ 331.12885 182.9
[M+K]+ 352.05819 172.7
[M+H-H2O]+ 296.09229 162.5
[M+HCOO]- 358.09323 191.3
[M+CH3COO]- 372.10888 203.5
[M+Na-2H]- 334.06970 171.9
[M]+ 313.09448 170.9
[M]- 313.09558 170.9
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