CID 3038146

29364-13-4

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CN1[C@@H]2CC[C@H]1[C@@H]([C@H](C2)OC(=O)NC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C17H22N2O4/c1-19-12-8-9-13(19)15(16(20)22-2)14(10-12)23-17(21)18-11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3,(H,18,21)/t12-,13+,14+,15+/m1/s1
InChIKey
BBRZZTAAAPVISM-QPSCCSFWSA-N
Compound name
methyl (1S,2S,3S,5R)-8-methyl-3-(phenylcarbamoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16524 174.1
[M+Na]+ 341.14718 182.6
[M+NH4]+ 336.19178 180.6
[M+K]+ 357.12112 179.6
[M-H]- 317.15068 175.3
[M+Na-2H]- 339.13263 175.8
[M]+ 318.15741 175.1
[M]- 318.15851 175.1
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.