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

17
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 195.6
[M+Na]+ 427.17272 201.0
[M-H]- 403.17622 199.6
[M+NH4]+ 422.21732 205.2
[M+K]+ 443.14666 199.2
[M+H-H2O]+ 387.18076 186.9
[M+HCOO]- 449.18170 213.6
[M+CH3COO]- 463.19735 222.1
[M+Na-2H]- 425.15817 193.0
[M]+ 404.18295 203.7
[M]- 404.18405 203.7
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