CID 131875577

19636-23-8

Structural Information

Molecular Formula
C20H23NO2
SMILES
C[C@]12C=CC3=C4CCC(=NO)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O
InChI
InChI=1S/C20H23NO2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21-23)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22-23H,4-7,9,11H2,2H3/t17-,18+,19+,20+/m1/s1
InChIKey
SBDCBFADDSQCBB-FYQPLNBISA-N
Compound name
(8S,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.180156 179.9
[M+Na]+ 332.162098 191.4
[M-H]- 308.165604 182.5
[M+NH4]+ 327.206703 200.4
[M+K]+ 348.136038 178.0
[M+H-H2O]+ 292.170140 168.5
[M+HCOO]- 354.171081 188.9
[M+CH3COO]- 368.186731 188.3
[M+Na-2H]- 330.147546 181.8
[M]+ 309.17233142 170.0
[M]- 309.17342858 170.0
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.