CID 6040514

127852-96-4

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

14
Patents

281.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 167.8
[M+Na]+ 304.130788 171.4
[M-H]- 280.134294 172.1
[M+NH4]+ 299.175393 181.9
[M+K]+ 320.104728 166.5
[M+H-H2O]+ 264.138830 159.6
[M+HCOO]- 326.139771 189.2
[M+CH3COO]- 340.155421 199.2
[M+Na-2H]- 302.116236 171.2
[M]+ 281.14102142 165.7
[M]- 281.14211858 165.7
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