CID 5375053

2,4-dichloro-5h-pyrrolo[3,2-d]pyrimidine

Structural Information

Molecular Formula

C₆H₃Cl₂N₃

SMILES

C1=CNC2=C1N=C(N=C2Cl)Cl

InChI

InChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H

InChIKey

MVTLFDKTYGKJEX-UHFFFAOYSA-N

Compound name

2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 520
Patents: 186.9704 Da
Monoisotopic Mass: 2.3
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]+	187.97768	131.0
[M+Na]+	209.95962	147.2
[M+NH4]+	205.00422	140.1
[M+K]+	225.93356	141.1
[M-H]-	185.96312	131.7
[M+Na-2H]-	207.94507	138.6
[M]+	186.96985	134.1
[M]-	186.97095	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe