CID 4879

4-amino-1-phenylpyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C11H9N5
SMILES
C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKey
KKDPIZPUTYIBFX-UHFFFAOYSA-N
Compound name
1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

99
Patents

211.0858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09308 144.0
[M+Na]+ 234.07502 155.6
[M-H]- 210.07852 147.1
[M+NH4]+ 229.11962 159.8
[M+K]+ 250.04896 150.1
[M+H-H2O]+ 194.08306 134.3
[M+HCOO]- 256.08400 166.5
[M+CH3COO]- 270.09965 156.9
[M+Na-2H]- 232.06047 153.1
[M]+ 211.08525 144.3
[M]- 211.08635 144.3
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