CID 70700377

313339-36-5

Structural Information

Molecular Formula
C6H5Cl2N3OS
SMILES
CSC1=NC(=C(C(=N1)Cl)C(=O)N)Cl
InChI
InChI=1S/C6H5Cl2N3OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3,(H2,9,12)
InChIKey
QTFKDTZXKGLBBX-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

236.95303 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.96031 141.5
[M+Na]+ 259.94225 152.7
[M-H]- 235.94575 142.5
[M+NH4]+ 254.98685 158.4
[M+K]+ 275.91619 147.3
[M+H-H2O]+ 219.95029 136.6
[M+HCOO]- 281.95123 149.1
[M+CH3COO]- 295.96688 189.5
[M+Na-2H]- 257.92770 142.9
[M]+ 236.95248 145.3
[M]- 236.95358 145.3
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