CID 302025

Ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
CCOC(=O)C1=C(SC(=N1)NC)N
InChI
InChI=1S/C7H11N3O2S/c1-3-12-6(11)4-5(8)13-7(9-2)10-4/h3,8H2,1-2H3,(H,9,10)
InChIKey
YLGCELVVRXLZSB-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-(methylamino)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06448 141.5
[M+Na]+ 224.04642 149.9
[M-H]- 200.04992 144.2
[M+NH4]+ 219.09102 161.2
[M+K]+ 240.02036 147.9
[M+H-H2O]+ 184.05446 134.9
[M+HCOO]- 246.05540 161.7
[M+CH3COO]- 260.07105 186.6
[M+Na-2H]- 222.03187 142.5
[M]+ 201.05665 143.8
[M]- 201.05775 143.8
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.