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
2
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]+ 367.235336 194.8
[M+Na]+ 389.217278 203.2
[M-H]- 365.220784 195.4
[M+NH4]+ 384.261883 199.5
[M+K]+ 405.191218 194.1
[M+H-H2O]+ 349.225320 181.6
[M+HCOO]- 411.226261 206.2
[M+CH3COO]- 425.241911 201.3
[M+Na-2H]- 387.202726 196.6
[M]+ 366.22751142 192.7
[M]- 366.22860858 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

literature stripe

Patent stripe

patents stripe