CID 20055545

Prampine

Structural Information

Molecular Formula
C20H27NO4
SMILES
CCC(=O)OCC(C1=CC=CC=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C
InChI
InChI=1S/C20H27NO4/c1-3-19(22)24-13-18(14-7-5-4-6-8-14)20(23)25-17-11-15-9-10-16(12-17)21(15)2/h4-8,15-18H,3,9-13H2,1-2H3/t15-,16+,17?,18?
InChIKey
WGQOUDPBYNQAPB-OQSMONGASA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-phenyl-3-propanoyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

345.194 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 184.9
[M+Na]+ 368.18322 187.5
[M-H]- 344.18672 188.0
[M+NH4]+ 363.22782 199.5
[M+K]+ 384.15716 185.0
[M+H-H2O]+ 328.19126 177.0
[M+HCOO]- 390.19220 198.5
[M+CH3COO]- 404.20785 212.8
[M+Na-2H]- 366.16867 182.5
[M]+ 345.19345 185.3
[M]- 345.19455 185.3
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.