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]+ 285.184916 166.1
[M+Na]+ 307.166858 173.8
[M-H]- 283.170364 171.0
[M+NH4]+ 302.211463 188.2
[M+K]+ 323.140798 169.6
[M+H-H2O]+ 267.174900 159.8
[M+HCOO]- 329.175841 180.6
[M+CH3COO]- 343.191491 205.1
[M+Na-2H]- 305.152306 169.5
[M]+ 284.17709142 164.1
[M]- 284.17818858 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.