CID 16063872

119302-19-1

Structural Information

Molecular Formula
C23H37NO2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)N4CCCC4)CC[C@@H]5[C@@]3(C[C@@H]6[C@H](C5)O6)C
InChI
InChI=1S/C23H37NO2/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/h14-21,25H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20+,21-,22-,23-/m0/s1
InChIKey
OPYVYACKKDTREB-NXECLLCESA-N
Compound name
(1S,2S,4R,6S,8S,11R,12S,14S,15R,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

359.28244 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28972 189.8
[M+Na]+ 382.27166 195.2
[M-H]- 358.27516 195.4
[M+NH4]+ 377.31626 205.2
[M+K]+ 398.24560 190.0
[M+H-H2O]+ 342.27970 183.4
[M+HCOO]- 404.28064 192.1
[M+CH3COO]- 418.29629 196.6
[M+Na-2H]- 380.25711 185.7
[M]+ 359.28189 184.1
[M]- 359.28299 184.1
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.