CID 67237141

Ceftaroline fosamil impurity 17

Structural Information

Molecular Formula
C9H9N2S2
SMILES
C[N+]1=CC=C(C=C1)C2=CSC(=S)N2
InChI
InChI=1S/C9H8N2S2/c1-11-4-2-7(3-5-11)8-6-13-9(12)10-8/h2-6H,1H3/p+1
InChIKey
KLYZRPWWEZXDGQ-UHFFFAOYSA-O
Compound name
4-(1-methylpyridin-1-ium-4-yl)-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

209.02072 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02800 135.9
[M+Na]+ 232.00994 151.4
[M+NH4]+ 227.05454 146.4
[M+K]+ 247.98388 143.0
[M-H]- 208.01344 141.0
[M+Na-2H]- 229.99539 144.0
[M]+ 209.02017 140.9
[M]- 209.02127 140.9
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

patents stripe