CID 6040514

N-cinnamoyl-d,l-phenylalaninol

Structural Information

Molecular Formula
C18H19NO2
SMILES
C1=CC=C(C=C1)CC(CO)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H19NO2/c20-14-17(13-16-9-5-2-6-10-16)19-18(21)12-11-15-7-3-1-4-8-15/h1-12,17,20H,13-14H2,(H,19,21)/b12-11+
InChIKey
VZKUSXFUBMPSML-VAWYXSNFSA-N
Compound name
(E)-N-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

281.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 169.1
[M+Na]+ 304.13079 180.9
[M+NH4]+ 299.17539 176.3
[M+K]+ 320.10473 173.3
[M-H]- 280.13429 172.9
[M+Na-2H]- 302.11624 176.9
[M]+ 281.14102 171.6
[M]- 281.14212 171.6
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