CID 101666683

Gancaonin x

Structural Information

Molecular Formula
C21H22O4
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2)CC(CO3)C4=C(C=C(C=C4)OC)O)C
InChI
InChI=1S/C21H22O4/c1-21(2)7-6-13-8-14-9-15(12-24-19(14)11-20(13)25-21)17-5-4-16(23-3)10-18(17)22/h4-8,10-11,15,22H,9,12H2,1-3H3
InChIKey
DRIPWQOGMJYOPU-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl)-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

338.1518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 179.6
[M+Na]+ 361.14102 195.6
[M+NH4]+ 356.18562 190.1
[M+K]+ 377.11496 185.9
[M-H]- 337.14452 187.8
[M+Na-2H]- 359.12647 186.6
[M]+ 338.15125 184.7
[M]- 338.15235 184.7
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

patents stripe