CID 146591459

2410055-24-0

Structural Information

Molecular Formula

C₇H₈BrN₃O

SMILES

CN1C(=C2C(=N1)CCNC2=O)Br

InChI

InChI=1S/C7H8BrN3O/c1-11-6(8)5-4(10-11)2-3-9-7(5)12/h2-3H2,1H3,(H,9,12)

InChIKey

YINIVDFOZFWMHZ-UHFFFAOYSA-N

Compound name

3-bromo-2-methyl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 228.98508 Da
Monoisotopic Mass: 0.6
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]+	229.99236	141.0
[M+Na]+	251.97430	154.3
[M-H]-	227.97780	143.5
[M+NH4]+	247.01890	161.4
[M+K]+	267.94824	142.9
[M+H-H2O]+	211.98234	140.6
[M+HCOO]-	273.98328	157.0
[M+CH3COO]-	287.99893	155.3
[M+Na-2H]-	249.95975	147.1
[M]+	228.98453	157.3
[M]-	228.98563	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe