CID 10085245

3-methyl-5-[(2s,3s)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2,4-oxadiazole;hydrochloride

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC1=NOC(=N1)[C@@H]2[C@H]3CC[C@H](N3C)C[C@@H]2C4=CC=CC=C4
InChI
InChI=1S/C17H21N3O/c1-11-18-17(21-19-11)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)20(13)2/h3-7,13-16H,8-10H2,1-2H3/t13-,14+,15+,16-/m0/s1
InChIKey
QSHBOMWRGOGQOF-JJXSEGSLSA-N
Compound name
3-methyl-5-[(1R,2S,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 167.7
[M+Na]+ 306.15768 175.6
[M-H]- 282.16118 173.7
[M+NH4]+ 301.20228 183.4
[M+K]+ 322.13162 171.9
[M+H-H2O]+ 266.16572 158.8
[M+HCOO]- 328.16666 183.2
[M+CH3COO]- 342.18231 178.7
[M+Na-2H]- 304.14313 167.6
[M]+ 283.16791 167.0
[M]- 283.16901 167.0
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.