CID 3072299

Brn 4872770

Structural Information

Molecular Formula
C11H19N5OS
SMILES
CCC1=NN=C(S1)NC(=O)CN2CCN(CC2)C
InChI
InChI=1S/C11H19N5OS/c1-3-10-13-14-11(18-10)12-9(17)8-16-6-4-15(2)5-7-16/h3-8H2,1-2H3,(H,12,14,17)
InChIKey
IJCBFOSUGDKZGX-UHFFFAOYSA-N
Compound name
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13104 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.138316 162.1
[M+Na]+ 292.120258 168.6
[M-H]- 268.123764 163.3
[M+NH4]+ 287.164863 175.3
[M+K]+ 308.094198 165.2
[M+H-H2O]+ 252.128300 152.9
[M+HCOO]- 314.129241 174.2
[M+CH3COO]- 328.144891 197.3
[M+Na-2H]- 290.105706 161.0
[M]+ 269.13049142 161.2
[M]- 269.13158858 161.2
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.