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

5
Patents

344.16238 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.169656 181.5
[M+Na]+ 367.151598 187.4
[M-H]- 343.155104 185.6
[M+NH4]+ 362.196203 193.5
[M+K]+ 383.125538 184.3
[M+H-H2O]+ 327.159640 173.6
[M+HCOO]- 389.160581 200.0
[M+CH3COO]- 403.176231 211.1
[M+Na-2H]- 365.137046 180.3
[M]+ 344.16183142 185.8
[M]- 344.16292858 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