CID 3077785

Brn 4268099

Structural Information

Molecular Formula
C13H10FN3OS3
SMILES
C1=CC(=CC=C1CSC2=NSC3=C2C(=C(S3)C(=O)N)N)F
InChI
InChI=1S/C13H10FN3OS3/c14-7-3-1-6(2-4-7)5-19-12-8-9(15)10(11(16)18)20-13(8)21-17-12/h1-4H,5,15H2,(H2,16,18)
InChIKey
ULJKBDLXWNULMA-UHFFFAOYSA-N
Compound name
4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.997 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00428 167.8
[M+Na]+ 361.98622 180.1
[M-H]- 337.98972 172.6
[M+NH4]+ 357.03082 185.1
[M+K]+ 377.96016 171.8
[M+H-H2O]+ 321.99426 162.5
[M+HCOO]- 383.99520 176.9
[M+CH3COO]- 398.01085 178.9
[M+Na-2H]- 359.97167 166.4
[M]+ 338.99645 170.4
[M]- 338.99755 170.4
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.