CID 9549180

17-methyl-17-alpha-dihydroequilenin

Structural Information

Molecular Formula
C19H22O2
SMILES
C[C@]12CCC3=C([C@@H]1CC[C@@]2(C)O)C=CC4=C3C=CC(=C4)O
InChI
InChI=1S/C19H22O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h3-6,11,17,20-21H,7-10H2,1-2H3/t17-,18-,19+/m0/s1
InChIKey
FQMQOMRDADWGJJ-GBESFXJTSA-N
Compound name
(13S,14S,17R)-13,17-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthrene-3,17-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.162 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16928 167.9
[M+Na]+ 305.15122 177.0
[M-H]- 281.15472 171.7
[M+NH4]+ 300.19582 191.7
[M+K]+ 321.12516 170.3
[M+H-H2O]+ 265.15926 162.0
[M+HCOO]- 327.16020 182.0
[M+CH3COO]- 341.17585 179.0
[M+Na-2H]- 303.13667 172.4
[M]+ 282.16145 165.4
[M]- 282.16255 165.4
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.