CID 6449391

2,4-hexadienamide, 6-hydroxy-n-(2-methylpropyl)-6-phenyl-, (e,e)-

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC(C)CNC(=O)/C=C/C=C/C(C1=CC=CC=C1)O
InChI
InChI=1S/C16H21NO2/c1-13(2)12-17-16(19)11-7-6-10-15(18)14-8-4-3-5-9-14/h3-11,13,15,18H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+
InChIKey
LRYQWBJGGNAUEF-JMQWPVDRSA-N
Compound name
(2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 165.2
[M+Na]+ 282.146448 168.6
[M-H]- 258.149954 166.4
[M+NH4]+ 277.191053 180.7
[M+K]+ 298.120388 164.7
[M+H-H2O]+ 242.154490 158.3
[M+HCOO]- 304.155431 185.0
[M+CH3COO]- 318.171081 196.8
[M+Na-2H]- 280.131896 165.6
[M]+ 259.15668142 163.6
[M]- 259.15777858 163.6
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

No patent data available for this compound.