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

27
Patents

215.03647 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04375 144.6
[M+Na]+ 238.02569 152.6
[M-H]- 214.02919 146.7
[M+NH4]+ 233.07029 163.0
[M+K]+ 253.99963 150.7
[M+H-H2O]+ 198.03373 137.9
[M+HCOO]- 260.03467 163.4
[M+CH3COO]- 274.05032 188.3
[M+Na-2H]- 236.01114 143.5
[M]+ 215.03592 145.8
[M]- 215.03702 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