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]+ 213.116846 147.5
[M+Na]+ 235.098788 156.0
[M-H]- 211.102294 148.9
[M+NH4]+ 230.143393 163.5
[M+K]+ 251.072728 152.9
[M+H-H2O]+ 195.106830 138.9
[M+HCOO]- 257.107771 159.9
[M+CH3COO]- 271.123421 158.8
[M+Na-2H]- 233.084236 147.3
[M]+ 212.10902142 146.6
[M]- 212.11011858 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.