CID 46926354

Schembl12768644

Structural Information

Molecular Formula
C19H26N8
SMILES
CCCC1=NN(C2=C1N=C(N=C2NC3=NC=C(C=C3)C)N4CCNCC4)C
InChI
InChI=1S/C19H26N8/c1-4-5-14-16-17(26(3)25-14)18(22-15-7-6-13(2)12-21-15)24-19(23-16)27-10-8-20-9-11-27/h6-7,12,20H,4-5,8-11H2,1-3H3,(H,21,22,23,24)
InChIKey
XEETWKYVVQVUPU-UHFFFAOYSA-N
Compound name
1-methyl-N-(5-methyl-2-pyridinyl)-5-piperazin-1-yl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

366.22806 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23534 194.8
[M+Na]+ 389.21728 203.2
[M-H]- 365.22078 195.4
[M+NH4]+ 384.26188 199.5
[M+K]+ 405.19122 194.1
[M+H-H2O]+ 349.22532 181.6
[M+HCOO]- 411.22626 206.2
[M+CH3COO]- 425.24191 201.3
[M+Na-2H]- 387.20273 196.6
[M]+ 366.22751 192.7
[M]- 366.22861 192.7
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

No patent data available for this compound.