CID 6449392

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

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)(CNC(=O)/C=C/C=C/C(C1=CC=CC=C1)O)O
InChI
InChI=1S/C16H21NO3/c1-16(2,20)12-17-15(19)11-7-6-10-14(18)13-8-4-3-5-9-13/h3-11,14,18,20H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+
InChIKey
BNZAMEQYBNDOMC-JMQWPVDRSA-N
Compound name
(2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 167.5
[M+Na]+ 298.141348 171.0
[M-H]- 274.144854 167.4
[M+NH4]+ 293.185953 181.7
[M+K]+ 314.115288 166.9
[M+H-H2O]+ 258.149390 161.2
[M+HCOO]- 320.150331 185.5
[M+CH3COO]- 334.165981 195.8
[M+Na-2H]- 296.126796 169.6
[M]+ 275.15158142 165.6
[M]- 275.15267858 165.6
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.