CID 169543924

159325-45-8

Structural Information

Molecular Formula
C23H35NO2
SMILES
C[C@]12CCC3C(C1CC(C2=O)N4CCCC4)CCC5[C@@]3(CC6C(C5)O6)C
InChI
InChI=1S/C23H35NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-20H,3-13H2,1-2H3/t14?,15?,16?,17?,18?,19?,20?,22-,23-/m0/s1
InChIKey
ZZMJTNMGPPBIOY-SLGODVNHSA-N
Compound name
(2S,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

357.26678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27406 190.1
[M+Na]+ 380.25600 200.6
[M+NH4]+ 375.30060 203.6
[M+K]+ 396.22994 194.2
[M-H]- 356.25950 202.4
[M+Na-2H]- 378.24145 193.0
[M]+ 357.26623 196.5
[M]- 357.26733 196.5
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.