CID 618665

Brn 4255049

Structural Information

Molecular Formula
C7H7N3OS3
SMILES
CSC1=C2C(=C(SC2=NS1)C(=O)N)N
InChI
InChI=1S/C7H7N3OS3/c1-12-7-2-3(8)4(5(9)11)13-6(2)10-14-7/h8H2,1H3,(H2,9,11)
InChIKey
FFYBNHFKGIMFQT-UHFFFAOYSA-N
Compound name
4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.97513 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.98241 146.7
[M+Na]+ 267.96435 158.9
[M-H]- 243.96785 149.7
[M+NH4]+ 263.00895 167.4
[M+K]+ 283.93829 152.7
[M+H-H2O]+ 227.97239 142.5
[M+HCOO]- 289.97333 156.3
[M+CH3COO]- 303.98898 159.1
[M+Na-2H]- 265.94980 145.9
[M]+ 244.97458 149.5
[M]- 244.97568 149.5
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.