CID 57375998

1-ethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula

C₇H₉N₅

SMILES

CCN1C2=NC=NC(=C2C=N1)N

InChI

InChI=1S/C7H9N5/c1-2-12-7-5(3-11-12)6(8)9-4-10-7/h3-4H,2H2,1H3,(H2,8,9,10)

InChIKey

ZKQQZCHGRXLMOI-UHFFFAOYSA-N

Compound name

1-ethylpyrazolo[3,4-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 163.0858 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.09308	131.4
[M+Na]+	186.07502	144.9
[M+NH4]+	181.11962	138.9
[M+K]+	202.04896	141.0
[M-H]-	162.07852	132.0
[M+Na-2H]-	184.06047	138.1
[M]+	163.08525	133.3
[M]-	163.08635	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe