CID 6449397

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

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC(C)(CNC(=O)/C=C/C=C/CC1=CC=CC=C1)O
InChI
InChI=1S/C16H21NO2/c1-16(2,19)13-17-15(18)12-8-4-7-11-14-9-5-3-6-10-14/h3-10,12,19H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+
InChIKey
VQRMWYSVDQFYBE-HCFISPQYSA-N
Compound name
(2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 164.1
[M+Na]+ 282.146448 168.5
[M-H]- 258.149954 165.5
[M+NH4]+ 277.191053 179.9
[M+K]+ 298.120388 164.0
[M+H-H2O]+ 242.154490 157.7
[M+HCOO]- 304.155431 184.4
[M+CH3COO]- 318.171081 195.3
[M+Na-2H]- 280.131896 167.9
[M]+ 259.15668142 163.3
[M]- 259.15777858 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.