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]+ 336.216936 182.7
[M+Na]+ 358.198878 185.5
[M-H]- 334.202384 183.8
[M+NH4]+ 353.243483 193.4
[M+K]+ 374.172818 181.6
[M+H-H2O]+ 318.206920 174.0
[M+HCOO]- 380.207861 196.7
[M+CH3COO]- 394.223511 207.5
[M+Na-2H]- 356.184326 181.1
[M]+ 335.20911142 181.7
[M]- 335.21020858 181.7
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.