CID 657095

3-(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol

Structural Information

Molecular Formula
C15H17N5O
SMILES
CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC(=CC=C3)O)N
InChI
InChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKey
CPLGZXQPPYRNRC-UHFFFAOYSA-N
Compound name
3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

283.1433 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.150576 169.9
[M+Na]+ 306.132518 181.3
[M-H]- 282.136024 172.3
[M+NH4]+ 301.177123 182.8
[M+K]+ 322.106458 175.3
[M+H-H2O]+ 266.140560 161.0
[M+HCOO]- 328.141501 188.0
[M+CH3COO]- 342.157151 181.0
[M+Na-2H]- 304.117966 175.6
[M]+ 283.14275142 171.3
[M]- 283.14384858 171.3
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