CID 1569817

Refchem:396663

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCCCOC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C20H23NO2/c1-2-3-15-23-19-12-9-17(10-13-19)11-14-20(22)21-16-18-7-5-4-6-8-18/h4-14H,2-3,15-16H2,1H3,(H,21,22)/b14-11+
InChIKey
VJGWXWWBLDPMRR-SDNWHVSQSA-N
Compound name
(E)-N-benzyl-3-(4-butoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.180156 176.3
[M+Na]+ 332.162098 180.6
[M-H]- 308.165604 181.9
[M+NH4]+ 327.206703 190.3
[M+K]+ 348.136038 175.7
[M+H-H2O]+ 292.170140 167.4
[M+HCOO]- 354.171081 199.5
[M+CH3COO]- 368.186731 208.0
[M+Na-2H]- 330.147546 179.5
[M]+ 309.17233142 177.7
[M]- 309.17342858 177.7
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.