CID 89154211

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

Structural Information

Molecular Formula

C₇H₉N₅

SMILES

CCC1=C2C(=NC=NC2=NN1)N

InChI

InChI=1S/C7H9N5/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H3,8,9,10,11,12)

InChIKey

MYOSJPRSRNFNSQ-UHFFFAOYSA-N

Compound name

3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 163.0858 Da
Monoisotopic Mass: 0.7
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	131.7
[M+Na]+	186.07502	144.6
[M+NH4]+	181.11962	138.9
[M+K]+	202.04896	141.1
[M-H]-	162.07852	131.8
[M+Na-2H]-	184.06047	137.8
[M]+	163.08525	133.3
[M]-	163.08635	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe