CID 131750976

N-cinnamoyloctopamine

Structural Information

Molecular Formula
C17H17NO3
SMILES
C1=CC=C(C=C1)/C=C\C(=O)NCC(C2=CC=C(C=C2)O)O
InChI
InChI=1S/C17H17NO3/c19-15-9-7-14(8-10-15)16(20)12-18-17(21)11-6-13-4-2-1-3-5-13/h1-11,16,19-20H,12H2,(H,18,21)/b11-6-
InChIKey
CWMOJJSULWWJSO-WDZFZDKYSA-N
Compound name
(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.128126 166.3
[M+Na]+ 306.110068 170.7
[M-H]- 282.113574 169.8
[M+NH4]+ 301.154673 179.8
[M+K]+ 322.084008 165.9
[M+H-H2O]+ 266.118110 158.5
[M+HCOO]- 328.119051 186.7
[M+CH3COO]- 342.134701 197.2
[M+Na-2H]- 304.095516 169.0
[M]+ 283.12030142 163.8
[M]- 283.12139858 163.8
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

patents stripe