CID 3045884

3-(2-pyrrolidinylethoxy)-17,17-dimethylgona-1,3,5(10),8,11,13-hexaene

Structural Information

Molecular Formula
C25H31NO
SMILES
CC1(CCC2=C1C=CC3=C2CCC4=C3C=CC(=C4)OCCN5CCCC5)C
InChI
InChI=1S/C25H31NO/c1-25(2)12-11-23-22-7-5-18-17-19(27-16-15-26-13-3-4-14-26)6-8-20(18)21(22)9-10-24(23)25/h6,8-10,17H,3-5,7,11-16H2,1-2H3
InChIKey
PMVGQBXQIGQQAY-UHFFFAOYSA-N
Compound name
1-[2-[(17,17-dimethyl-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-3-yl)oxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.24057 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24785 192.3
[M+Na]+ 384.22979 205.0
[M+NH4]+ 379.27439 204.2
[M+K]+ 400.20373 196.6
[M-H]- 360.23329 197.8
[M+Na-2H]- 382.21524 197.3
[M]+ 361.24002 196.0
[M]- 361.24112 196.0
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.