CID 15138471

Sophoronol

Structural Information

Molecular Formula
C21H20O7
SMILES
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
InChI
InChI=1S/C21H20O7/c1-20(2)7-6-12-15(28-20)5-4-13(18(12)26-3)21(25)10-27-16-9-11(22)8-14(23)17(16)19(21)24/h4-9,22-23,25H,10H2,1-3H3
InChIKey
SYJLLCMGTNPNAB-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.1209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 188.1
[M+Na]+ 407.11012 198.1
[M-H]- 383.11362 195.0
[M+NH4]+ 402.15472 201.5
[M+K]+ 423.08406 197.1
[M+H-H2O]+ 367.11816 180.2
[M+HCOO]- 429.11910 199.8
[M+CH3COO]- 443.13475 216.2
[M+Na-2H]- 405.09557 193.9
[M]+ 384.12035 192.0
[M]- 384.12145 192.0
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.