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

2
Patents

283.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 166.3
[M+Na]+ 306.11007 170.7
[M-H]- 282.11357 169.8
[M+NH4]+ 301.15467 179.8
[M+K]+ 322.08401 165.9
[M+H-H2O]+ 266.11811 158.5
[M+HCOO]- 328.11905 186.7
[M+CH3COO]- 342.13470 197.2
[M+Na-2H]- 304.09552 169.0
[M]+ 283.12030 163.8
[M]- 283.12140 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