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 182.7
[M+Na]+ 358.19888 185.5
[M-H]- 334.20238 183.8
[M+NH4]+ 353.24348 193.4
[M+K]+ 374.17282 181.6
[M+H-H2O]+ 318.20692 174.0
[M+HCOO]- 380.20786 196.7
[M+CH3COO]- 394.22351 207.5
[M+Na-2H]- 356.18433 181.1
[M]+ 335.20911 181.7
[M]- 335.21021 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.