CID 6447983

108331-88-0

Structural Information

Molecular Formula
C16H19NO2
SMILES
CC(C)CNC(=O)/C=C/C=C/C(=O)C1=CC=CC=C1
InChI
InChI=1S/C16H19NO2/c1-13(2)12-17-16(19)11-7-6-10-15(18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+
InChIKey
GMAIUKVGNZXDPW-JMQWPVDRSA-N
Compound name
(2E,4E)-N-(2-methylpropyl)-6-oxo-6-phenylhexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 163.3
[M+Na]+ 280.130788 167.4
[M-H]- 256.134294 165.9
[M+NH4]+ 275.175393 179.4
[M+K]+ 296.104728 163.8
[M+H-H2O]+ 240.138830 156.2
[M+HCOO]- 302.139771 184.8
[M+CH3COO]- 316.155421 198.4
[M+Na-2H]- 278.116236 164.3
[M]+ 257.14102142 162.9
[M]- 257.14211858 162.9
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.