CID 67273458

Schembl2086773

Structural Information

Molecular Formula
C25H19Cl2N7O3S
SMILES
CN(C1=CC=CC=N1)NC(=O)C2=C3N=CC(=C(N3N=C2S(=O)(=O)N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl
InChI
InChI=1S/C25H19Cl2N7O3S/c1-33(20-8-4-5-13-29-20)31-24(35)21-23-30-14-18(17-6-2-3-7-19(17)27)22(15-9-11-16(26)12-10-15)34(23)32-25(21)38(28,36)37/h2-14H,1H3,(H,31,35)(H2,28,36,37)
InChIKey
SIHKCQZRSPKPIN-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[methyl(pyridin-2-yl)amino]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

567.0647 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.07198 226.8
[M+Na]+ 590.05392 242.9
[M+NH4]+ 585.09852 231.8
[M+K]+ 606.02786 235.3
[M-H]- 566.05742 233.8
[M+Na-2H]- 588.03937 237.3
[M]+ 567.06415 232.0
[M]- 567.06525 232.0
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