CID 6449397

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

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]+ 260.16451 164.1
[M+Na]+ 282.14645 168.5
[M-H]- 258.14995 165.5
[M+NH4]+ 277.19105 179.9
[M+K]+ 298.12039 164.0
[M+H-H2O]+ 242.15449 157.7
[M+HCOO]- 304.15543 184.4
[M+CH3COO]- 318.17108 195.3
[M+Na-2H]- 280.13190 167.9
[M]+ 259.15668 163.3
[M]- 259.15778 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.