CID 4484952

3,4-dihydro-2,2-dimethyl[3,6'-bi-2h-1-benzopyran]-5',7-diol, 9ci

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C=C(C=C4)O)OC3)C
InChI
InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3
InChIKey
UUJBHSNXZMGYBT-UHFFFAOYSA-N
Compound name
6-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

13
Patents

324.13617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 176.2
[M+Na]+ 347.12539 184.7
[M-H]- 323.12889 183.7
[M+NH4]+ 342.16999 190.6
[M+K]+ 363.09933 182.1
[M+H-H2O]+ 307.13343 168.0
[M+HCOO]- 369.13437 189.4
[M+CH3COO]- 383.15002 186.8
[M+Na-2H]- 345.11084 182.1
[M]+ 324.13562 176.2
[M]- 324.13672 176.2
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