CID 72724506

Sydowiol a

Structural Information

Molecular Formula
C21H20O7
SMILES
CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2O)OC3=CC(=CC(=C3O)O)C)C)O)O
InChI
InChI=1S/C21H20O7/c1-10-4-13(22)19(24)15(6-10)27-17-8-12(3)9-18(21(17)26)28-16-7-11(2)5-14(23)20(16)25/h4-9,22-26H,1-3H3
InChIKey
AEIWRRLKRYHZRZ-UHFFFAOYSA-N
Compound name
3-[3-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-5-methylphenoxy]-5-methylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.128176 188.9
[M+Na]+ 407.110118 198.1
[M-H]- 383.113624 194.2
[M+NH4]+ 402.154723 197.9
[M+K]+ 423.084058 194.1
[M+H-H2O]+ 367.118160 180.5
[M+HCOO]- 429.119101 205.5
[M+CH3COO]- 443.134751 214.6
[M+Na-2H]- 405.095566 187.3
[M]+ 384.12035142 192.4
[M]- 384.12144858 192.4
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.