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]+ 385.128176 188.1
[M+Na]+ 407.110118 198.1
[M-H]- 383.113624 195.0
[M+NH4]+ 402.154723 201.5
[M+K]+ 423.084058 197.1
[M+H-H2O]+ 367.118160 180.2
[M+HCOO]- 429.119101 199.8
[M+CH3COO]- 443.134751 216.2
[M+Na-2H]- 405.095566 193.9
[M]+ 384.12035142 192.0
[M]- 384.12144858 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.