CID 160254

Cryptotanshinone

Structural Information

Molecular Formula
C19H20O3
SMILES
C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
InChI
InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKey
GVKKJJOMQCNPGB-JTQLQIEISA-N
Compound name
(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

415
References

2560
Patents

296.14124 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 168.2
[M+Na]+ 319.13046 181.7
[M+NH4]+ 314.17506 179.3
[M+K]+ 335.10440 174.0
[M-H]- 295.13396 172.8
[M+Na-2H]- 317.11591 171.3
[M]+ 296.14069 171.7
[M]- 296.14179 171.7
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