CID 24905153

1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C17H19N5O2
SMILES
COC1=C(C=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C4CCC4)OC
InChI
InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
InChIKey
ITOYZJGFTNTKKR-UHFFFAOYSA-N
Compound name
1-cyclobutyl-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

325.15387 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.161146 176.2
[M+Na]+ 348.143088 185.1
[M-H]- 324.146594 181.8
[M+NH4]+ 343.187693 181.1
[M+K]+ 364.117028 183.1
[M+H-H2O]+ 308.151130 159.9
[M+HCOO]- 370.152071 194.7
[M+CH3COO]- 384.167721 186.2
[M+Na-2H]- 346.128536 178.8
[M]+ 325.15332142 187.7
[M]- 325.15441858 187.7
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