CID 135478871

22276-97-7

Structural Information

Molecular Formula

C₆H₄BrN₃O

SMILES

C1=C(C2=C(N1)N=CNC2=O)Br

InChI

InChI=1S/C6H4BrN3O/c7-3-1-8-5-4(3)6(11)10-2-9-5/h1-2H,(H2,8,9,10,11)

InChIKey

XJUAXRSIRZNYBE-UHFFFAOYSA-N

Compound name

5-bromo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 212.95377 Da
Monoisotopic Mass: 0.5
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]+	213.96105	138.9
[M+Na]+	235.94299	142.9
[M+NH4]+	230.98759	142.7
[M+K]+	251.91693	144.8
[M-H]-	211.94649	137.1
[M+Na-2H]-	233.92844	141.4
[M]+	212.95322	137.6
[M]-	212.95432	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe