CID 3025400

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

Structural Information

Molecular Formula
C18H27NO5
SMILES
COC1=CC(=CC(=C1OC(CCO)O)CN2CCOCC2)CC=C
InChI
InChI=1S/C18H27NO5/c1-3-4-14-11-15(13-19-6-9-23-10-7-19)18(16(12-14)22-2)24-17(21)5-8-20/h3,11-12,17,20-21H,1,4-10,13H2,2H3
InChIKey
YSPHNNGPUITKLP-UHFFFAOYSA-N
Compound name
1-[2-methoxy-6-(morpholin-4-ylmethyl)-4-prop-2-enylphenoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19621 182.1
[M+Na]+ 360.17815 191.8
[M+NH4]+ 355.22275 186.9
[M+K]+ 376.15209 187.0
[M-H]- 336.18165 184.1
[M+Na-2H]- 358.16360 184.4
[M]+ 337.18838 183.7
[M]- 337.18948 183.7
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.