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]+ 201.08046 143.3
[M+Na]+ 223.06240 150.9
[M+NH4]+ 218.10700 149.8
[M+K]+ 239.03634 147.3
[M-H]- 199.06590 143.4
[M+Na-2H]- 221.04785 146.3
[M]+ 200.07263 144.4
[M]- 200.07373 144.4
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.