CID 87417112

2-amino-n-tert-butyl-1,3-thiazole-5-sulfonamide

Structural Information

Molecular Formula
C7H13N3O2S2
SMILES
CC(C)(C)NS(=O)(=O)C1=CN=C(S1)N
InChI
InChI=1S/C7H13N3O2S2/c1-7(2,3)10-14(11,12)5-4-9-6(8)13-5/h4,10H,1-3H3,(H2,8,9)
InChIKey
FUBPTCCBHCUOFZ-UHFFFAOYSA-N
Compound name
2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

235.04492 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05220 151.4
[M+Na]+ 258.03414 159.9
[M-H]- 234.03764 153.4
[M+NH4]+ 253.07874 169.6
[M+K]+ 274.00808 155.9
[M+H-H2O]+ 218.04218 145.5
[M+HCOO]- 280.04312 163.8
[M+CH3COO]- 294.05877 189.4
[M+Na-2H]- 256.01959 153.8
[M]+ 235.04437 152.7
[M]- 235.04547 152.7
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

patents stripe