CID 23872112

41535-95-9

Structural Information

Molecular Formula
C21H26O6
SMILES
CC(C(C1=CC(=C(C=C1)O)OC)O)OC2=C(C=C(C=C2OC)CC=C)OC
InChI
InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3
InChIKey
ULZFTGWWPHYLGI-UHFFFAOYSA-N
Compound name
4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

36
Patents

374.17294 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18022 188.2
[M+Na]+ 397.16216 194.3
[M-H]- 373.16566 192.4
[M+NH4]+ 392.20676 199.2
[M+K]+ 413.13610 191.9
[M+H-H2O]+ 357.17020 180.0
[M+HCOO]- 419.17114 206.4
[M+CH3COO]- 433.18679 217.6
[M+Na-2H]- 395.14761 186.0
[M]+ 374.17239 194.7
[M]- 374.17349 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe