CID 340212

5-o-methyllatifolin

Structural Information

Molecular Formula
C18H20O4
SMILES
COC1=CC(=C(C=C1[C@H](C=C)C2=CC=CC=C2O)OC)OC
InChI
InChI=1S/C18H20O4/c1-5-12(13-8-6-7-9-15(13)19)14-10-17(21-3)18(22-4)11-16(14)20-2/h5-12,19H,1H2,2-4H3/t12-/m1/s1
InChIKey
NKFNPUQSPATHPN-GFCCVEGCSA-N
Compound name
2-[(1R)-1-(2,4,5-trimethoxyphenyl)prop-2-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.143446 169.1
[M+Na]+ 323.125388 176.9
[M-H]- 299.128894 175.0
[M+NH4]+ 318.169993 183.9
[M+K]+ 339.099328 173.7
[M+H-H2O]+ 283.133430 161.4
[M+HCOO]- 345.134371 190.6
[M+CH3COO]- 359.150021 204.5
[M+Na-2H]- 321.110836 170.6
[M]+ 300.13562142 173.8
[M]- 300.13671858 173.8
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

No patent data available for this compound.