CID 9954083

3039-71-2

Structural Information

Molecular Formula
C25H41NO2
SMILES
CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C
InChI
InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
InChIKey
DMZCCFMMPHJWQY-BKWLFHPQSA-N
Compound name
(3S,8R,9S,10R,13S,14S)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

217
References

71
Patents

387.31372 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.32100 200.7
[M+Na]+ 410.30294 208.1
[M+NH4]+ 405.34754 212.5
[M+K]+ 426.27688 197.8
[M-H]- 386.30644 204.0
[M+Na-2H]- 408.28839 202.3
[M]+ 387.31317 202.8
[M]- 387.31427 202.8
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

patents stripe