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

120
References

1132
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

literature stripe

Patent stripe

patents stripe