CID 2802760

Maybridge3_000801

Structural Information

Molecular Formula
C12H19N5OS2
SMILES
CN1C2CCC1CC(C2)NC(=O)CSC3=NN=C(S3)N
InChI
InChI=1S/C12H19N5OS2/c1-17-8-2-3-9(17)5-7(4-8)14-10(18)6-19-12-16-15-11(13)20-12/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,18)
InChIKey
UDRFOWJFGHTQTC-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

313.1031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.110376 166.0
[M+Na]+ 336.092318 173.2
[M-H]- 312.095824 167.5
[M+NH4]+ 331.136923 182.4
[M+K]+ 352.066258 169.1
[M+H-H2O]+ 296.100360 160.3
[M+HCOO]- 358.101301 173.5
[M+CH3COO]- 372.116951 175.4
[M+Na-2H]- 334.077766 164.0
[M]+ 313.10255142 166.2
[M]- 313.10364858 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.