CID 24905143

Phenol, 3-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-

Structural Information

Molecular Formula
C14H15N5O
SMILES
CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC(=CC=C3)O)N
InChI
InChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9/h3-8,20H,1-2H3,(H2,15,16,17)
InChIKey
MWYBBCLGEHZSCP-UHFFFAOYSA-N
Compound name
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

269.12766 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.134936 163.0
[M+Na]+ 292.116878 174.0
[M-H]- 268.120384 165.2
[M+NH4]+ 287.161483 176.1
[M+K]+ 308.090818 168.2
[M+H-H2O]+ 252.124920 153.6
[M+HCOO]- 314.125861 182.1
[M+CH3COO]- 328.141511 174.2
[M+Na-2H]- 290.102326 167.3
[M]+ 269.12711142 164.1
[M]- 269.12820858 164.1
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