CID 3079246

Brn 4206827

Structural Information

Molecular Formula
C13H21N5O3S
SMILES
CCCC1=NN=C(S1)NC(=O)CCC(=O)NNC(=O)CCC
InChI
InChI=1S/C13H21N5O3S/c1-3-5-10(20)15-16-11(21)8-7-9(19)14-13-18-17-12(22-13)6-4-2/h3-8H2,1-2H3,(H,15,20)(H,16,21)(H,14,18,19)
InChIKey
ZDZBWWBPKPHFEJ-UHFFFAOYSA-N
Compound name
4-(2-butanoylhydrazinyl)-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

327.1365 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14378 176.9
[M+Na]+ 350.12572 180.7
[M-H]- 326.12922 177.5
[M+NH4]+ 345.17032 189.5
[M+K]+ 366.09966 178.1
[M+H-H2O]+ 310.13376 167.9
[M+HCOO]- 372.13470 194.2
[M+CH3COO]- 386.15035 212.2
[M+Na-2H]- 348.11117 175.7
[M]+ 327.13595 180.1
[M]- 327.13705 180.1
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.