CID 71755701

5-(piperazin-1-yl)-1,2,4-thiadiazol-3-amine

Structural Information

Molecular Formula
C6H11N5S
SMILES
C1CN(CCN1)C2=NC(=NS2)N
InChI
InChI=1S/C6H11N5S/c7-5-9-6(12-10-5)11-3-1-8-2-4-11/h8H,1-4H2,(H2,7,10)
InChIKey
KUHWHTNUSQJVKP-UHFFFAOYSA-N
Compound name
5-piperazin-1-yl-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.07352 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.080796 137.5
[M+Na]+ 208.062738 145.2
[M-H]- 184.066244 137.2
[M+NH4]+ 203.107343 153.0
[M+K]+ 224.036678 141.3
[M+H-H2O]+ 168.070780 129.2
[M+HCOO]- 230.071721 149.9
[M+CH3COO]- 244.087371 148.3
[M+Na-2H]- 206.048186 139.1
[M]+ 185.07297142 131.8
[M]- 185.07406858 131.8
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.