CID 16062456

(e)-n,n-dibutyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCCCN(CCCC)C(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H27NO3/c1-4-6-12-19(13-7-5-2)18(21)11-9-15-8-10-16(20)17(14-15)22-3/h8-11,14,20H,4-7,12-13H2,1-3H3/b11-9+
InChIKey
PXZYOFGPOVZUTN-PKNBQFBNSA-N
Compound name
(E)-N,N-dibutyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 176.6
[M+Na]+ 328.18832 181.2
[M-H]- 304.19182 179.4
[M+NH4]+ 323.23292 191.6
[M+K]+ 344.16226 178.5
[M+H-H2O]+ 288.19636 169.1
[M+HCOO]- 350.19730 198.3
[M+CH3COO]- 364.21295 210.4
[M+Na-2H]- 326.17377 176.4
[M]+ 305.19855 181.3
[M]- 305.19965 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.