CID 44630726

1190927-74-2

Structural Information

Molecular Formula

C₆H₅Cl₂N₃

SMILES

C1C2=C(CN1)N=C(N=C2Cl)Cl

InChI

InChI=1S/C6H5Cl2N3/c7-5-3-1-9-2-4(3)10-6(8)11-5/h9H,1-2H2

InChIKey

WJXFGDOFMONWMI-UHFFFAOYSA-N

Compound name

2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 188.98605 Da
Monoisotopic Mass: 1.1
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]+	189.99333	134.7
[M+Na]+	211.97527	146.1
[M-H]-	187.97877	133.1
[M+NH4]+	207.01987	153.8
[M+K]+	227.94921	140.3
[M+H-H2O]+	171.98331	128.1
[M+HCOO]-	233.98425	143.8
[M+CH3COO]-	247.99990	147.0
[M+Na-2H]-	209.96072	140.4
[M]+	188.98550	134.4
[M]-	188.98660	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe