CID 24905142

Pp121

Structural Information

Molecular Formula
C17H17N7
SMILES
C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N
InChI
InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)
InChIKey
NVRXTLZYXZNATH-UHFFFAOYSA-N
Compound name
1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

86
Patents

319.15454 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16182 170.5
[M+Na]+ 342.14376 184.7
[M+NH4]+ 337.18836 177.5
[M+K]+ 358.11770 183.9
[M-H]- 318.14726 174.0
[M+Na-2H]- 340.12921 177.9
[M]+ 319.15399 173.4
[M]- 319.15509 173.4
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