CID 3079244

Brn 4192819

Structural Information

Molecular Formula
C6H9N5O2S
SMILES
C1=NN=C(S1)NC(=O)CCC(=O)NN
InChI
InChI=1S/C6H9N5O2S/c7-10-5(13)2-1-4(12)9-6-11-8-3-14-6/h3H,1-2,7H2,(H,10,13)(H,9,11,12)
InChIKey
XJWLROKHRZDFDD-UHFFFAOYSA-N
Compound name
4-hydrazinyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0477 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05498 143.1
[M+Na]+ 238.03692 149.2
[M-H]- 214.04042 143.9
[M+NH4]+ 233.08152 159.7
[M+K]+ 254.01086 147.3
[M+H-H2O]+ 198.04496 134.9
[M+HCOO]- 260.04590 162.6
[M+CH3COO]- 274.06155 188.6
[M+Na-2H]- 236.02237 145.6
[M]+ 215.04715 142.5
[M]- 215.04825 142.5
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.