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
2
Annotation Hits

0
References

91
Patents

345.194 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.201276 184.9
[M+Na]+ 368.183218 187.5
[M-H]- 344.186724 188.0
[M+NH4]+ 363.227823 199.5
[M+K]+ 384.157158 185.0
[M+H-H2O]+ 328.191260 177.0
[M+HCOO]- 390.192201 198.5
[M+CH3COO]- 404.207851 212.8
[M+Na-2H]- 366.168666 182.5
[M]+ 345.19345142 185.3
[M]- 345.19454858 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

patents stripe