CID 24905152

1-(1-methylethyl)-3-quinolin-6-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C17H16N6
SMILES
CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)N=CC=C4)N
InChI
InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21)
InChIKey
GEZALMMCQYDFML-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

304.14365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15093 174.1
[M+Na]+ 327.13287 185.6
[M-H]- 303.13637 176.9
[M+NH4]+ 322.17747 185.7
[M+K]+ 343.10681 178.2
[M+H-H2O]+ 287.14091 163.1
[M+HCOO]- 349.14185 191.6
[M+CH3COO]- 363.15750 184.4
[M+Na-2H]- 325.11832 180.0
[M]+ 304.14310 175.8
[M]- 304.14420 175.8
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