CID 135579751

Schembl2033330

Structural Information

Molecular Formula
C22H30N6O5S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(C(=O)N3)N(N=C4CCCO)C
InChI
InChI=1S/C22H30N6O5S/c1-4-33-18-8-7-15(34(31,32)28-11-9-26(2)10-12-28)14-16(18)21-23-19-17(6-5-13-29)25-27(3)20(19)22(30)24-21/h7-8,14,29H,4-6,9-13H2,1-3H3,(H,23,24,30)
InChIKey
OHYLGWROIWPHIA-UHFFFAOYSA-N
Compound name
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(3-hydroxypropyl)-1-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

490.19983 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.20711 217.9
[M+Na]+ 513.18905 229.9
[M+NH4]+ 508.23365 219.8
[M+K]+ 529.16299 225.5
[M-H]- 489.19255 217.7
[M+Na-2H]- 511.17450 220.7
[M]+ 490.19928 219.7
[M]- 490.20038 219.7
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