CID 90341185

1443677-11-9

Structural Information

Molecular Formula

C₇H₆BrN₃O

SMILES

C1C2=C(NC(=O)N1)N=CC(=C2)Br

InChI

InChI=1S/C7H6BrN3O/c8-5-1-4-2-10-7(12)11-6(4)9-3-5/h1,3H,2H2,(H2,9,10,11,12)

InChIKey

XZNHYIPNLCECEA-UHFFFAOYSA-N

Compound name

6-bromo-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 226.96942 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]+	227.97670	138.2
[M+Na]+	249.95864	150.0
[M-H]-	225.96214	138.9
[M+NH4]+	245.00324	155.9
[M+K]+	265.93258	137.4
[M+H-H2O]+	209.96668	137.7
[M+HCOO]-	271.96762	152.0
[M+CH3COO]-	285.98327	151.3
[M+Na-2H]-	247.94409	147.3
[M]+	226.96887	151.8
[M]-	226.96997	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe