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]+ 202.064476 141.5
[M+Na]+ 224.046418 149.9
[M-H]- 200.049924 144.2
[M+NH4]+ 219.091023 161.2
[M+K]+ 240.020358 147.9
[M+H-H2O]+ 184.054460 134.9
[M+HCOO]- 246.055401 161.7
[M+CH3COO]- 260.071051 186.6
[M+Na-2H]- 222.031866 142.5
[M]+ 201.05665142 143.8
[M]- 201.05774858 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.