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

2
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

patents stripe