CID 121566

3-(4-allyl-2-methoxy-6-(piperidinomethyl)phenoxy)-1,2-propanediol

Structural Information

Molecular Formula
C19H29NO4
SMILES
COC1=CC(=CC(=C1OCC(CO)O)CN2CCCCC2)CC=C
InChI
InChI=1S/C19H29NO4/c1-3-7-15-10-16(12-20-8-5-4-6-9-20)19(18(11-15)23-2)24-14-17(22)13-21/h3,10-11,17,21-22H,1,4-9,12-14H2,2H3
InChIKey
UMKCZXVABWKAAW-UHFFFAOYSA-N
Compound name
3-[2-methoxy-6-(piperidin-1-ylmethyl)-4-prop-2-enylphenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.20966 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21694 183.3
[M+Na]+ 358.19888 193.0
[M+NH4]+ 353.24348 188.6
[M+K]+ 374.17282 187.0
[M-H]- 334.20238 184.4
[M+Na-2H]- 356.18433 186.4
[M]+ 335.20911 184.6
[M]- 335.21021 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.