CID 14015408

2-(4-allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol

Structural Information

Molecular Formula
C20H24O5
SMILES
CC(C(C1=CC(=C(C=C1)O)OC)O)OC2=C(C=C(C=C2)CC=C)OC
InChI
InChI=1S/C20H24O5/c1-5-6-14-7-10-17(19(11-14)24-4)25-13(2)20(22)15-8-9-16(21)18(12-15)23-3/h5,7-13,20-22H,1,6H2,2-4H3
InChIKey
PDALBPBLFWHDRD-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

344.16238 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16966 181.5
[M+Na]+ 367.15160 187.4
[M-H]- 343.15510 185.6
[M+NH4]+ 362.19620 193.5
[M+K]+ 383.12554 184.3
[M+H-H2O]+ 327.15964 173.6
[M+HCOO]- 389.16058 200.0
[M+CH3COO]- 403.17623 211.1
[M+Na-2H]- 365.13705 180.3
[M]+ 344.16183 185.8
[M]- 344.16293 185.8
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

patents stripe