CID 64622247

1-(5-bromo-1,3,4-thiadiazol-2-yl)piperazine

Structural Information

Molecular Formula
C6H9BrN4S
SMILES
C1CN(CCN1)C2=NN=C(S2)Br
InChI
InChI=1S/C6H9BrN4S/c7-5-9-10-6(12-5)11-3-1-8-2-4-11/h8H,1-4H2
InChIKey
CTWJVUVCUIESTM-UHFFFAOYSA-N
Compound name
2-bromo-5-piperazin-1-yl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.97313 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.980406 135.1
[M+Na]+ 270.962348 147.3
[M-H]- 246.965854 138.5
[M+NH4]+ 266.006953 153.0
[M+K]+ 286.936288 135.8
[M+H-H2O]+ 230.970390 134.6
[M+HCOO]- 292.971331 146.0
[M+CH3COO]- 306.986981 148.8
[M+Na-2H]- 268.947796 139.4
[M]+ 247.97258142 150.3
[M]- 247.97367858 150.3
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