CID 3032050

10-undecynamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-

Structural Information

Molecular Formula
C19H27NO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCC#C)O
InChI
InChI=1S/C19H27NO3/c1-3-4-5-6-7-8-9-10-11-19(22)20-15-16-12-13-17(21)18(14-16)23-2/h1,12-14,21H,4-11,15H2,2H3,(H,20,22)
InChIKey
KIFSWRNTGICWRI-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.206376 177.4
[M+Na]+ 340.188318 183.8
[M-H]- 316.191824 177.2
[M+NH4]+ 335.232923 189.4
[M+K]+ 356.162258 178.7
[M+H-H2O]+ 300.196360 164.2
[M+HCOO]- 362.197301 192.5
[M+CH3COO]- 376.212951 214.9
[M+Na-2H]- 338.173766 176.9
[M]+ 317.19855142 175.4
[M]- 317.19964858 175.4
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.