CID 168265112

(4as,10ar)-7-acetyl-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3h-phenanthren-2-one

Structural Information

Molecular Formula
C19H24O2
SMILES
CC(=O)C1=CC2=C(C=C1)[C@]3(CCC(=O)C([C@@H]3CC2)(C)C)C
InChI
InChI=1S/C19H24O2/c1-12(20)13-5-7-15-14(11-13)6-8-16-18(2,3)17(21)9-10-19(15,16)4/h5,7,11,16H,6,8-10H2,1-4H3/t16-,19+/m0/s1
InChIKey
GSWQIBSVXUXYEU-QFBILLFUSA-N
Compound name
(4aS,10aR)-7-acetyl-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.17764 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 166.1
[M+Na]+ 307.16686 173.8
[M-H]- 283.17036 171.0
[M+NH4]+ 302.21146 188.2
[M+K]+ 323.14080 169.6
[M+H-H2O]+ 267.17490 159.8
[M+HCOO]- 329.17584 180.6
[M+CH3COO]- 343.19149 205.1
[M+Na-2H]- 305.15231 169.5
[M]+ 284.17709 164.1
[M]- 284.17819 164.1
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

No patent data available for this compound.