CID 59594417

4,6-dichloro-2-methyl-2h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula

C₆H₄Cl₂N₄

SMILES

CN1C=C2C(=N1)N=C(N=C2Cl)Cl

InChI

InChI=1S/C6H4Cl2N4/c1-12-2-3-4(7)9-6(8)10-5(3)11-12/h2H,1H3

InChIKey

QLHBOALBAOKBJV-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-methylpyrazolo[3,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 201.98131 Da
Monoisotopic Mass: 2.1
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]+	202.98859	135.2
[M+Na]+	224.97053	152.0
[M+NH4]+	220.01513	143.8
[M+K]+	240.94447	146.1
[M-H]-	200.97403	135.7
[M+Na-2H]-	222.95598	142.6
[M]+	201.98076	138.3
[M]-	201.98186	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe