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]+ 270.13832 162.1
[M+Na]+ 292.12026 168.6
[M-H]- 268.12376 163.3
[M+NH4]+ 287.16486 175.3
[M+K]+ 308.09420 165.2
[M+H-H2O]+ 252.12830 152.9
[M+HCOO]- 314.12924 174.2
[M+CH3COO]- 328.14489 197.3
[M+Na-2H]- 290.10571 161.0
[M]+ 269.13049 161.2
[M]- 269.13159 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.