CID 11723200

Avenanthramide c

Structural Information

Molecular Formula
C16H13NO6
SMILES
C1=CC(=C(C=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O)O
InChI
InChI=1S/C16H13NO6/c18-10-3-4-12(11(8-10)16(22)23)17-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,18-20H,(H,17,21)(H,22,23)/b6-2+
InChIKey
IDUUXROOZBOOPH-QHHAFSJGSA-N
Compound name
2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

92
References

912
Patents

315.07428 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08156 169.0
[M+Na]+ 338.06350 175.3
[M-H]- 314.06700 171.0
[M+NH4]+ 333.10810 180.2
[M+K]+ 354.03744 171.1
[M+H-H2O]+ 298.07154 161.7
[M+HCOO]- 360.07248 187.3
[M+CH3COO]- 374.08813 200.0
[M+Na-2H]- 336.04895 169.5
[M]+ 315.07373 167.3
[M]- 315.07483 167.3
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.