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 181.9
[M+Na]+ 360.17815 185.2
[M-H]- 336.18165 183.9
[M+NH4]+ 355.22275 191.1
[M+K]+ 376.15209 183.0
[M+H-H2O]+ 320.18619 173.0
[M+HCOO]- 382.18713 195.5
[M+CH3COO]- 396.20278 206.9
[M+Na-2H]- 358.16360 181.6
[M]+ 337.18838 182.6
[M]- 337.18948 182.6
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.