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

literature stripe

Patent stripe

patents stripe