CID 67272017

Schembl2083287

Structural Information

Molecular Formula
C24H21Cl2N5O5S2
SMILES
CNS(=O)(=O)C1=NN2C(=C(C=NC2=C1C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H21Cl2N5O5S2/c1-27-38(35,36)24-20(23(32)29-16-10-11-37(33,34)13-16)22-28-12-18(17-4-2-3-5-19(17)26)21(31(22)30-24)14-6-8-15(25)9-7-14/h2-9,12,16,27H,10-11,13H2,1H3,(H,29,32)
InChIKey
OGXPEWYKDODYIH-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-(methylsulfamoyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

593.03613 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.04341 227.7
[M+Na]+ 616.02535 240.5
[M+NH4]+ 611.06995 233.5
[M+K]+ 631.99929 232.2
[M-H]- 592.02885 232.4
[M+Na-2H]- 614.01080 236.3
[M]+ 593.03558 232.2
[M]- 593.03668 232.2
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