CID 72724508

Sydowiol c

Structural Information

Molecular Formula
C21H20O7
SMILES
CC1=CC(=C(C(=C1)O)OC2=C(C=C(C=C2OC3=CC(=CC(=C3O)O)C)C)O)O
InChI
InChI=1S/C21H20O7/c1-10-5-14(23)20(15(24)6-10)28-21-16(25)7-12(3)9-18(21)27-17-8-11(2)4-13(22)19(17)26/h4-9,22-26H,1-3H3
InChIKey
QOPXRCMKGKMOSI-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dihydroxy-5-methylphenoxy)-6-hydroxy-4-methylphenoxy]-5-methylbenzene-1,3-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]+ 385.12818 188.9
[M+Na]+ 407.11012 198.1
[M-H]- 383.11362 194.2
[M+NH4]+ 402.15472 197.9
[M+K]+ 423.08406 194.1
[M+H-H2O]+ 367.11816 180.5
[M+HCOO]- 429.11910 205.5
[M+CH3COO]- 443.13475 214.6
[M+Na-2H]- 405.09557 187.3
[M]+ 384.12035 192.4
[M]- 384.12145 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.