CID 57712255

1-(3-chloro-1,2,4-thiadiazol-5-yl)-4-methylpiperazine

Structural Information

Molecular Formula
C7H11ClN4S
SMILES
CN1CCN(CC1)C2=NC(=NS2)Cl
InChI
InChI=1S/C7H11ClN4S/c1-11-2-4-12(5-3-11)7-9-6(8)10-13-7/h2-5H2,1H3
InChIKey
BGWOMWACZVXCEJ-UHFFFAOYSA-N
Compound name
3-chloro-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.03929 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04657 144.7
[M+Na]+ 241.02851 154.4
[M-H]- 217.03201 146.1
[M+NH4]+ 236.07311 161.2
[M+K]+ 257.00245 150.5
[M+H-H2O]+ 201.03655 136.5
[M+HCOO]- 263.03749 152.9
[M+CH3COO]- 277.05314 156.3
[M+Na-2H]- 239.01396 144.9
[M]+ 218.03874 144.5
[M]- 218.03984 144.5
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

patents stripe