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 143.0
[M+Na]+ 223.06240 150.4
[M-H]- 199.06590 144.1
[M+NH4]+ 218.10700 161.1
[M+K]+ 239.03634 148.4
[M+H-H2O]+ 183.07044 135.6
[M+HCOO]- 245.07138 160.8
[M+CH3COO]- 259.08703 187.0
[M+Na-2H]- 221.04785 143.4
[M]+ 200.07263 143.4
[M]- 200.07373 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.