CID 139596665

Schembl28891471

Structural Information

Molecular Formula
C24H34N6O4S
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC(NC(C4)C)C)OCCC)C
InChI
InChI=1S/C24H34N6O4S/c1-6-8-19-21-22(29(5)28-19)24(31)27-23(26-21)18-12-17(9-10-20(18)34-11-7-2)35(32,33)30-13-15(3)25-16(4)14-30/h9-10,12,15-16,25H,6-8,11,13-14H2,1-5H3,(H,26,27,31)
InChIKey
PRMZQGGEMZGWDP-UHFFFAOYSA-N
Compound name
5-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

502.23624 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.243516 227.1
[M+Na]+ 525.225458 236.2
[M-H]- 501.228964 228.4
[M+NH4]+ 520.270063 228.4
[M+K]+ 541.199398 227.3
[M+H-H2O]+ 485.233500 217.2
[M+HCOO]- 547.234441 230.7
[M+CH3COO]- 561.250091 238.0
[M+Na-2H]- 523.210906 222.9
[M]+ 502.23569142 231.3
[M]- 502.23678858 231.3
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.