CID 10085245

(1r,2s,3s,5s)-3-phenyl-2-(3-methyl-1,2,4-oxadiazol-5-yl) tropane

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]+ 284.175736 167.7
[M+Na]+ 306.157678 175.6
[M-H]- 282.161184 173.7
[M+NH4]+ 301.202283 183.4
[M+K]+ 322.131618 171.9
[M+H-H2O]+ 266.165720 158.8
[M+HCOO]- 328.166661 183.2
[M+CH3COO]- 342.182311 178.7
[M+Na-2H]- 304.143126 167.6
[M]+ 283.16791142 167.0
[M]- 283.16900858 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.