CID 44247584

1192348-73-4

Structural Information

Molecular Formula
C14H13Cl2N3O3S
SMILES
CS(=O)(=O)C1=C(C=C(C=C1)Cl)CN2C=C(C=C(C2=N)C(=O)N)Cl
InChI
InChI=1S/C14H13Cl2N3O3S/c1-23(21,22)12-3-2-9(15)4-8(12)6-19-7-10(16)5-11(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)
InChIKey
CVBJUEIAUOTXLV-UHFFFAOYSA-N
Compound name
5-chloro-1-[(5-chloro-2-methylsulfonylphenyl)methyl]-2-iminopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

373.00546 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.01274 183.2
[M+Na]+ 395.99468 196.3
[M+NH4]+ 391.03928 189.1
[M+K]+ 411.96862 188.3
[M-H]- 371.99818 185.6
[M+Na-2H]- 393.98013 189.0
[M]+ 373.00491 186.6
[M]- 373.00601 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe