CID 131753105

Myristicanol b

Structural Information

Molecular Formula
C22H28O7
SMILES
CC(C(C1=CC(=C(C=C1)OC)OC)O)OC2=C(C=C(C=C2OC)/C=C\CO)OC
InChI
InChI=1S/C22H28O7/c1-14(21(24)16-8-9-17(25-2)18(13-16)26-3)29-22-19(27-4)11-15(7-6-10-23)12-20(22)28-5/h6-9,11-14,21,23-24H,10H2,1-5H3/b7-6-
InChIKey
JTUBQGXAXOEMNN-SREVYHEPSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-[4-[(Z)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

404.1835 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19078 196.8
[M+Na]+ 427.17272 207.8
[M+NH4]+ 422.21732 200.8
[M+K]+ 443.14666 203.2
[M-H]- 403.17622 197.7
[M+Na-2H]- 425.15817 200.2
[M]+ 404.18295 198.4
[M]- 404.18405 198.4
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.