CID 3077799

Brn 4266404

Structural Information

Molecular Formula
C13H8FN3S3
SMILES
C1=CC(=CC=C1CSC2=NSC3=C2C(=C(S3)C#N)N)F
InChI
InChI=1S/C13H8FN3S3/c14-8-3-1-7(2-4-8)6-18-12-10-11(16)9(5-15)19-13(10)20-17-12/h1-4H,6,16H2
InChIKey
JWJAORJAFWFLHU-UHFFFAOYSA-N
Compound name
4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.98645 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.99373 152.7
[M+Na]+ 343.97567 163.7
[M+NH4]+ 339.02027 158.5
[M+K]+ 359.94961 152.6
[M-H]- 319.97917 149.1
[M+Na-2H]- 341.96112 155.8
[M]+ 320.98590 153.7
[M]- 320.98700 153.7
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.