CID 863908

Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate

Structural Information

Molecular Formula
C7H9N3O3S
SMILES
CCOC(=O)C1=C(C(=NS1)C(=O)N)N
InChI
InChI=1S/C7H9N3O3S/c1-2-13-7(12)5-3(8)4(6(9)11)10-14-5/h2,8H2,1H3,(H2,9,11)
InChIKey
CFOLRWLXDGELQE-UHFFFAOYSA-N
Compound name
ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

215.03647 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.043746 144.6
[M+Na]+ 238.025688 152.6
[M-H]- 214.029194 146.7
[M+NH4]+ 233.070293 163.0
[M+K]+ 253.999628 150.7
[M+H-H2O]+ 198.033730 137.9
[M+HCOO]- 260.034671 163.4
[M+CH3COO]- 274.050321 188.3
[M+Na-2H]- 236.011136 143.5
[M]+ 215.03592142 145.8
[M]- 215.03701858 145.8
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

patents stripe