CID 3077793

Brn 4257420

Structural Information

Molecular Formula
C9H11N3OS3
SMILES
CCCSC1=C2C(=C(SC2=NS1)C(=O)N)N
InChI
InChI=1S/C9H11N3OS3/c1-2-3-14-9-4-5(10)6(7(11)13)15-8(4)12-16-9/h2-3,10H2,1H3,(H2,11,13)
InChIKey
CLTPHNQTNKRFDO-UHFFFAOYSA-N
Compound name
4-amino-3-propylsulfanylthieno[2,3-c][1,2]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.00644 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01372 154.5
[M+Na]+ 295.99566 165.8
[M-H]- 271.99916 157.1
[M+NH4]+ 291.04026 174.2
[M+K]+ 311.96960 159.2
[M+H-H2O]+ 256.00370 150.0
[M+HCOO]- 318.00464 163.5
[M+CH3COO]- 332.02029 166.1
[M+Na-2H]- 293.98111 152.9
[M]+ 273.00589 157.9
[M]- 273.00699 157.9
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.