CID 18801626

2551117-97-4

Structural Information

Molecular Formula
C7H6N2O2S2
SMILES
COC(=O)C1=CC2=C(S1)N=C(S2)N
InChI
InChI=1S/C7H6N2O2S2/c1-11-6(10)4-2-3-5(12-4)9-7(8)13-3/h2H,1H3,(H2,8,9)
InChIKey
QLJWFVWZCMBDOM-UHFFFAOYSA-N
Compound name
methyl 2-aminothieno[2,3-d][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.98708 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99436 141.7
[M+Na]+ 236.97630 154.1
[M-H]- 212.97980 146.2
[M+NH4]+ 232.02090 164.7
[M+K]+ 252.95024 150.9
[M+H-H2O]+ 196.98434 137.5
[M+HCOO]- 258.98528 157.8
[M+CH3COO]- 273.00093 156.1
[M+Na-2H]- 234.96175 142.3
[M]+ 213.98653 147.7
[M]- 213.98763 147.7
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

No patent data available for this compound.