CID 102500

848-07-7

Structural Information

Molecular Formula
C20H22O2
SMILES
CCC12CCC3=C(C1=CCC2=O)CCC4=C3C=CC(=C4)OC
InChI
InChI=1S/C20H22O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7-8,12H,3-4,6,9-11H2,1-2H3
InChIKey
ZKFDNQOPOKFLFH-UHFFFAOYSA-N
Compound name
13-ethyl-3-methoxy-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.162 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.169276 170.5
[M+Na]+ 317.151218 178.9
[M-H]- 293.154724 176.4
[M+NH4]+ 312.195823 192.9
[M+K]+ 333.125158 173.0
[M+H-H2O]+ 277.159260 163.5
[M+HCOO]- 339.160201 187.4
[M+CH3COO]- 353.175851 182.0
[M+Na-2H]- 315.136666 174.0
[M]+ 294.16145142 170.5
[M]- 294.16254858 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.