CID 160142

Miltirone

Structural Information

Molecular Formula
C19H22O2
SMILES
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O
InChI
InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
InChIKey
FEFAIBOZOKSLJR-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

373
Patents

282.162 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16928 164.7
[M+Na]+ 305.15122 173.2
[M-H]- 281.15472 170.0
[M+NH4]+ 300.19582 185.3
[M+K]+ 321.12516 168.8
[M+H-H2O]+ 265.15926 158.3
[M+HCOO]- 327.16020 180.7
[M+CH3COO]- 341.17585 206.3
[M+Na-2H]- 303.13667 167.4
[M]+ 282.16145 164.2
[M]- 282.16255 164.2
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