CID 3044804

Brn 1110287

Structural Information

Molecular Formula
C9H16N4S
SMILES
CCC1=NN=C(S1)N2CCN(CC2)C
InChI
InChI=1S/C9H16N4S/c1-3-8-10-11-9(14-8)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKey
LEGYAURSCWXDFF-UHFFFAOYSA-N
Compound name
2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10957 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11685 147.5
[M+Na]+ 235.09879 156.0
[M-H]- 211.10229 148.9
[M+NH4]+ 230.14339 163.5
[M+K]+ 251.07273 152.9
[M+H-H2O]+ 195.10683 138.9
[M+HCOO]- 257.10777 159.9
[M+CH3COO]- 271.12342 158.8
[M+Na-2H]- 233.08424 147.3
[M]+ 212.10902 146.6
[M]- 212.11012 146.6
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.