CID 11425923

Dihydrotanshinone i

Structural Information

Molecular Formula
C18H14O3
SMILES
C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C
InChI
InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKey
HARGZZNYNSYSGJ-JTQLQIEISA-N
Compound name
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

121
References

1315
Patents

278.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 160.5
[M+Na]+ 301.08352 171.9
[M-H]- 277.08702 168.5
[M+NH4]+ 296.12812 181.0
[M+K]+ 317.05746 167.7
[M+H-H2O]+ 261.09156 154.7
[M+HCOO]- 323.09250 179.2
[M+CH3COO]- 337.10815 174.0
[M+Na-2H]- 299.06897 164.9
[M]+ 278.09375 163.5
[M]- 278.09485 163.5
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

No patent data available for this compound.