CID 2819266

Km-01221

Structural Information

Molecular Formula
C17H13Cl2N3O3S2
SMILES
CSC1=NNC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13Cl2N3O3S2/c1-26-17-14(27(24,25)13-8-6-12(19)7-9-13)15(21-22-17)20-16(23)10-2-4-11(18)5-3-10/h2-9H,1H3,(H2,20,21,22,23)
InChIKey
OOEJKNSQVFIOEF-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-1H-pyrazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.97754 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.98482 199.6
[M+Na]+ 463.96676 212.7
[M+NH4]+ 459.01136 205.8
[M+K]+ 479.94070 203.7
[M-H]- 439.97026 202.8
[M+Na-2H]- 461.95221 206.1
[M]+ 440.97699 203.7
[M]- 440.97809 203.7
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

No patent data available for this compound.