CID 10947890

Avenanthramide 1s

Structural Information

Molecular Formula
C18H17NO6
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C18H17NO6/c1-24-14-9-11(10-15(25-2)17(14)21)7-8-16(20)19-13-6-4-3-5-12(13)18(22)23/h3-10,21H,1-2H3,(H,19,20)(H,22,23)/b8-7+
InChIKey
RGFLTMLKBQWTSH-BQYQJAHWSA-N
Compound name
2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

343.1056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.112876 177.2
[M+Na]+ 366.094818 183.5
[M-H]- 342.098324 181.6
[M+NH4]+ 361.139423 188.7
[M+K]+ 382.068758 180.4
[M+H-H2O]+ 326.102860 169.0
[M+HCOO]- 388.103801 197.9
[M+CH3COO]- 402.119451 210.1
[M+Na-2H]- 364.080266 177.6
[M]+ 343.10505142 179.8
[M]- 343.10614858 179.8
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