CID 370746

Nsc644269

Structural Information

Molecular Formula
C20H26O8
SMILES
COC1=C(C(=C(C(=C1)CO)C2=C(C(=C(C=C2CO)OC)OC)OC)OC)OC
InChI
InChI=1S/C20H26O8/c1-23-13-7-11(9-21)15(19(27-5)17(13)25-3)16-12(10-22)8-14(24-2)18(26-4)20(16)28-6/h7-8,21-22H,9-10H2,1-6H3
InChIKey
RFHXMSBUGMQUEI-UHFFFAOYSA-N
Compound name
[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]-3,4,5-trimethoxyphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

394.16278 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17006 189.1
[M+Na]+ 417.15200 197.9
[M-H]- 393.15550 194.4
[M+NH4]+ 412.19660 200.0
[M+K]+ 433.12594 197.2
[M+H-H2O]+ 377.16004 180.6
[M+HCOO]- 439.16098 209.5
[M+CH3COO]- 453.17663 222.1
[M+Na-2H]- 415.13745 188.1
[M]+ 394.16223 201.2
[M]- 394.16333 201.2
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.