CID 44257556

(r)-3,4dimethoxydalbergionequinol

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=C(C=C(C(=C1OC)O)[C@H](C=C)C2=CC=CC=C2)O
InChI
InChI=1S/C17H18O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12,18-19H,1H2,2-3H3/t12-/m1/s1
InChIKey
SGTZMKGDJCXTBM-GFCCVEGCSA-N
Compound name
2,3-dimethoxy-5-[(1R)-1-phenylprop-2-enyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.0
[M+Na]+ 309.10972 172.8
[M-H]- 285.11322 169.7
[M+NH4]+ 304.15432 179.7
[M+K]+ 325.08366 169.0
[M+H-H2O]+ 269.11776 157.8
[M+HCOO]- 331.11870 185.3
[M+CH3COO]- 345.13435 199.1
[M+Na-2H]- 307.09517 166.6
[M]+ 286.11995 167.5
[M]- 286.12105 167.5
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.