CID 9956826

Chembl567909

Structural Information

Molecular Formula
C24H24N4O5S
SMILES
C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)NS(=O)(=O)CC4=CC=CC=C4)C5=CC=CO5
InChI
InChI=1S/C24H24N4O5S/c29-23(27-34(31,32)15-16-8-3-1-4-9-16)18-14-20-25-22(19-12-7-13-33-19)21(24(30)28(20)26-18)17-10-5-2-6-11-17/h1,3-4,7-9,12-14,17,26H,2,5-6,10-11,15H2,(H,27,29)
InChIKey
DUORWTDJXKEGFC-UHFFFAOYSA-N
Compound name
N-benzylsulfonyl-6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

480.14673 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15401 209.7
[M+Na]+ 503.13595 216.4
[M-H]- 479.13945 219.9
[M+NH4]+ 498.18055 215.4
[M+K]+ 519.10989 211.6
[M+H-H2O]+ 463.14399 201.3
[M+HCOO]- 525.14493 221.1
[M+CH3COO]- 539.16058 217.4
[M+Na-2H]- 501.12140 209.3
[M]+ 480.14618 211.6
[M]- 480.14728 211.6
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

No patent data available for this compound.