CID 6449392

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

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]+ 276.15941 167.6
[M+Na]+ 298.14135 175.5
[M+NH4]+ 293.18595 172.4
[M+K]+ 314.11529 171.0
[M-H]- 274.14485 166.5
[M+Na-2H]- 296.12680 170.5
[M]+ 275.15158 168.0
[M]- 275.15268 168.0
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.