CID 5372945

N-p-trans-coumaroyltyramine

Structural Information

Molecular Formula
C17H17NO3
SMILES
C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC=C(C=C2)O)O
InChI
InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

66
References

224
Patents

283.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 167.6
[M+Na]+ 306.11007 179.6
[M+NH4]+ 301.15467 174.1
[M+K]+ 322.08401 172.7
[M-H]- 282.11357 170.7
[M+Na-2H]- 304.09552 174.5
[M]+ 283.12030 169.9
[M]- 283.12140 169.9
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