CID 131875577

R 2010 oxime

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]+ 310.18016 179.9
[M+Na]+ 332.16210 191.4
[M-H]- 308.16560 182.5
[M+NH4]+ 327.20670 200.4
[M+K]+ 348.13604 178.0
[M+H-H2O]+ 292.17014 168.5
[M+HCOO]- 354.17108 188.9
[M+CH3COO]- 368.18673 188.3
[M+Na-2H]- 330.14755 181.8
[M]+ 309.17233 170.0
[M]- 309.17343 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.