CID 1569817

(2e)-n-benzyl-3-(4-butoxyphenyl)prop-2-enamide

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]+ 310.18016 176.3
[M+Na]+ 332.16210 180.6
[M-H]- 308.16560 181.9
[M+NH4]+ 327.20670 190.3
[M+K]+ 348.13604 175.7
[M+H-H2O]+ 292.17014 167.4
[M+HCOO]- 354.17108 199.5
[M+CH3COO]- 368.18673 208.0
[M+Na-2H]- 330.14755 179.5
[M]+ 309.17233 177.7
[M]- 309.17343 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.