CID 79513351

N-(5-amino-1,3,4-thiadiazol-2-yl)-3-methylbutanamide

Structural Information

Molecular Formula
C7H12N4OS
SMILES
CC(C)CC(=O)NC1=NN=C(S1)N
InChI
InChI=1S/C7H12N4OS/c1-4(2)3-5(12)9-7-11-10-6(8)13-7/h4H,3H2,1-2H3,(H2,8,10)(H,9,11,12)
InChIKey
BTPYBMDOUJQJKU-UHFFFAOYSA-N
Compound name
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07318 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.080456 143.0
[M+Na]+ 223.062398 150.4
[M-H]- 199.065904 144.1
[M+NH4]+ 218.107003 161.1
[M+K]+ 239.036338 148.4
[M+H-H2O]+ 183.070440 135.6
[M+HCOO]- 245.071381 160.8
[M+CH3COO]- 259.087031 187.0
[M+Na-2H]- 221.047846 143.4
[M]+ 200.07263142 143.4
[M]- 200.07372858 143.4
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.