CID 24772341

Schembl2085227

Structural Information

Molecular Formula
C26H24Cl2N4O5S
SMILES
CC1(CCS(=O)(=O)C1)NC(=O)C2=C3N=CC(=C(N3N=C2OCCO)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl
InChI
InChI=1S/C26H24Cl2N4O5S/c1-26(10-13-38(35,36)15-26)30-24(34)21-23-29-14-19(18-4-2-3-5-20(18)28)22(16-6-8-17(27)9-7-16)32(23)31-25(21)37-12-11-33/h2-9,14,33H,10-13,15H2,1H3,(H,30,34)
InChIKey
UNFBOPQOKSVPNI-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(2-hydroxyethoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

574.0845 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.09178 224.3
[M+Na]+ 597.07372 238.8
[M+NH4]+ 592.11832 232.0
[M+K]+ 613.04766 229.3
[M-H]- 573.07722 229.2
[M+Na-2H]- 595.05917 234.1
[M]+ 574.08395 228.9
[M]- 574.08505 228.9
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