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]+ 318.20638 177.4
[M+Na]+ 340.18832 183.8
[M-H]- 316.19182 177.2
[M+NH4]+ 335.23292 189.4
[M+K]+ 356.16226 178.7
[M+H-H2O]+ 300.19636 164.2
[M+HCOO]- 362.19730 192.5
[M+CH3COO]- 376.21295 214.9
[M+Na-2H]- 338.17377 176.9
[M]+ 317.19855 175.4
[M]- 317.19965 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.