CID 45359729

(2e,4e)-n-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide

Structural Information

Molecular Formula
C20H29NO2
SMILES
CCCCCCC/C=C/C=C/C(=O)NCCC1=CC=C(C=C1)O
InChI
InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-11-20(23)21-17-16-18-12-14-19(22)15-13-18/h8-15,22H,2-7,16-17H2,1H3,(H,21,23)/b9-8+,11-10+
InChIKey
VVRNYAJXAUQHEN-BNFZFUHLSA-N
Compound name
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.21982 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 181.8
[M+Na]+ 338.20904 184.8
[M-H]- 314.21254 182.3
[M+NH4]+ 333.25364 195.4
[M+K]+ 354.18298 179.0
[M+H-H2O]+ 298.21708 174.1
[M+HCOO]- 360.21802 202.2
[M+CH3COO]- 374.23367 208.3
[M+Na-2H]- 336.19449 181.9
[M]+ 315.21927 183.3
[M]- 315.22037 183.3
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

patents stripe