CID 3087145

Brn 4195942

Structural Information

Molecular Formula
C9H15N5O2S
SMILES
CCCC1=NN=C(S1)NC(=O)CCC(=O)NN
InChI
InChI=1S/C9H15N5O2S/c1-2-3-8-13-14-9(17-8)11-6(15)4-5-7(16)12-10/h2-5,10H2,1H3,(H,12,16)(H,11,14,15)
InChIKey
IDKFZHULGVYXRI-UHFFFAOYSA-N
Compound name
4-hydrazinyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10192 156.5
[M+Na]+ 280.08386 162.2
[M-H]- 256.08736 157.1
[M+NH4]+ 275.12846 171.7
[M+K]+ 296.05780 159.5
[M+H-H2O]+ 240.09190 148.0
[M+HCOO]- 302.09284 175.0
[M+CH3COO]- 316.10849 198.8
[M+Na-2H]- 278.06931 156.9
[M]+ 257.09409 157.3
[M]- 257.09519 157.3
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.