CID 9977173

Sarothranol

Structural Information

Molecular Formula
C21H18O7
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)OC)C
InChI
InChI=1S/C21H18O7/c1-21(2)7-6-11-14(28-21)9-15-16(17(11)24)18(25)20(26-3)19(27-15)10-4-5-12(22)13(23)8-10/h4-9,22-24H,1-3H3
InChIKey
PKBDGQRRPFRWSU-UHFFFAOYSA-N
Compound name
8-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.10526 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11254 188.4
[M+Na]+ 405.09448 199.9
[M-H]- 381.09798 196.2
[M+NH4]+ 400.13908 200.1
[M+K]+ 421.06842 198.5
[M+H-H2O]+ 365.10252 180.0
[M+HCOO]- 427.10346 202.8
[M+CH3COO]- 441.11911 199.4
[M+Na-2H]- 403.07993 193.8
[M]+ 382.10471 194.9
[M]- 382.10581 194.9
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.