CID 160785

Undecenovanillylamide

Structural Information

Molecular Formula
C19H29NO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCC=C)O
InChI
InChI=1S/C19H29NO3/c1-3-4-5-6-7-8-9-10-11-19(22)20-15-16-12-13-17(21)18(14-16)23-2/h3,12-14,21H,1,4-11,15H2,2H3,(H,20,22)
InChIKey
CKWSPVVWIACXHV-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

319.21475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 181.2
[M+Na]+ 342.20397 190.3
[M+NH4]+ 337.24857 186.4
[M+K]+ 358.17791 183.2
[M-H]- 318.20747 181.7
[M+Na-2H]- 340.18942 183.9
[M]+ 319.21420 182.3
[M]- 319.21530 182.3
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