CID 16109866

5-[(z)-14-(3-hydroxy-5-methoxy-phenyl)tetradec-6-enyl]benzene-1,3-diol

Structural Information

Molecular Formula
C27H38O4
SMILES
COC1=CC(=CC(=C1)O)CCCCCCC/C=C\CCCCCC2=CC(=CC(=C2)O)O
InChI
InChI=1S/C27H38O4/c1-31-27-19-23(18-26(30)21-27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-22-16-24(28)20-25(29)17-22/h2,4,16-21,28-30H,3,5-15H2,1H3/b4-2-
InChIKey
VYFXHPXTNRHEPV-RQOWECAXSA-N
Compound name
5-[(Z)-14-(3-hydroxy-5-methoxyphenyl)tetradec-6-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.277 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.28428 210.2
[M+Na]+ 449.26622 213.3
[M-H]- 425.26972 211.3
[M+NH4]+ 444.31082 218.4
[M+K]+ 465.24016 205.9
[M+H-H2O]+ 409.27426 201.0
[M+HCOO]- 471.27520 226.4
[M+CH3COO]- 485.29085 224.8
[M+Na-2H]- 447.25167 207.1
[M]+ 426.27645 214.7
[M]- 426.27755 214.7
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

No patent data available for this compound.