CID 44257555

(r)-2,4,5-trimethoxydalbergiquinol

Structural Information

Molecular Formula
C18H20O3
SMILES
COC1=CC(=C(C=C1[C@H](C=C)C2=CC=CC=C2)OC)OC
InChI
InChI=1S/C18H20O3/c1-5-14(13-9-7-6-8-10-13)15-11-17(20-3)18(21-4)12-16(15)19-2/h5-12,14H,1H2,2-4H3/t14-/m1/s1
InChIKey
IUHZDNVFBOTZHT-CQSZACIVSA-N
Compound name
1,2,4-trimethoxy-5-[(1R)-1-phenylprop-2-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 166.1
[M+Na]+ 307.13046 173.6
[M-H]- 283.13396 173.0
[M+NH4]+ 302.17506 182.1
[M+K]+ 323.10440 170.5
[M+H-H2O]+ 267.13850 158.2
[M+HCOO]- 329.13944 189.0
[M+CH3COO]- 343.15509 203.6
[M+Na-2H]- 305.11591 168.7
[M]+ 284.14069 170.7
[M]- 284.14179 170.7
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.