CID 66967760

709652-84-6

Structural Information

Molecular Formula

C₇H₆BrN₃O

SMILES

C1C(=O)NC2=C(N1)N=CC(=C2)Br

InChI

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

InChIKey

YUBCVDJYDUKAAJ-UHFFFAOYSA-N

Compound name

7-bromo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 226.96942 Da
Monoisotopic Mass: 0.8
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	141.4
[M+Na]+	249.95864	144.7
[M+NH4]+	245.00324	145.3
[M+K]+	265.93258	145.0
[M-H]-	225.96214	140.0
[M+Na-2H]-	247.94409	143.3
[M]+	226.96887	140.0
[M]-	226.96997	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe