CID 162345196

Ns00133105

Structural Information

Molecular Formula
C22H28N6O5S
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(C(=O)C4)C)OCC)C
InChI
InChI=1S/C22H28N6O5S/c1-5-7-16-19-20(27(4)25-16)22(30)24-21(23-19)15-12-14(8-9-17(15)33-6-2)34(31,32)28-11-10-26(3)18(29)13-28/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,23,24,30)
InChIKey
HZZSFHVRGQOBNX-UHFFFAOYSA-N
Compound name
5-[2-ethoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.1842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.191476 221.4
[M+Na]+ 511.173418 231.7
[M-H]- 487.176924 224.3
[M+NH4]+ 506.218023 223.6
[M+K]+ 527.147358 224.0
[M+H-H2O]+ 471.181460 211.4
[M+HCOO]- 533.182401 227.3
[M+CH3COO]- 547.198051 236.0
[M+Na-2H]- 509.158866 218.6
[M]+ 488.18365142 227.2
[M]- 488.18474858 227.2
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

No patent data available for this compound.