CID 6442278

Brn 3055060

Structural Information

Molecular Formula
C17H23NO
SMILES
C/C(=C\C1=CC=CC=C1)/CC(=O)NC2CCCCC2
InChI
InChI=1S/C17H23NO/c1-14(12-15-8-4-2-5-9-15)13-17(19)18-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,18,19)/b14-12+
InChIKey
FUWUVSZMCJVUAN-WYMLVPIESA-N
Compound name
(E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 163.7
[M+Na]+ 280.16720 165.2
[M-H]- 256.17070 168.5
[M+NH4]+ 275.21180 179.4
[M+K]+ 296.14114 161.4
[M+H-H2O]+ 240.17524 155.7
[M+HCOO]- 302.17618 182.4
[M+CH3COO]- 316.19183 197.7
[M+Na-2H]- 278.15265 165.0
[M]+ 257.17743 157.4
[M]- 257.17853 157.4
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.