CID 189521

Dihydrokanakugiol

Structural Information

Molecular Formula
C19H22O6
SMILES
COC1=C(C(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)OC)OC)OC
InChI
InChI=1S/C19H22O6/c1-22-16-14(13(20)11-10-12-8-6-5-7-9-12)15(21)17(23-2)19(25-4)18(16)24-3/h5-9,21H,10-11H2,1-4H3
InChIKey
NTAJFHWMQLZQMI-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

346.14163 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 178.9
[M+Na]+ 369.13085 186.6
[M-H]- 345.13435 184.8
[M+NH4]+ 364.17545 191.8
[M+K]+ 385.10479 184.8
[M+H-H2O]+ 329.13889 170.6
[M+HCOO]- 391.13983 200.3
[M+CH3COO]- 405.15548 213.0
[M+Na-2H]- 367.11630 179.4
[M]+ 346.14108 187.1
[M]- 346.14218 187.1
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