CID 16119327

936901-73-4

Structural Information

Molecular Formula

C₁₀H₇BrClN₃O

SMILES

C1C(CC1=O)C2=NC(=C3N2C=CN=C3Cl)Br

InChI

InChI=1S/C10H7BrClN3O/c11-8-7-9(12)13-1-2-15(7)10(14-8)5-3-6(16)4-5/h1-2,5H,3-4H2

InChIKey

SPFGLRKIXCHBPT-UHFFFAOYSA-N

Compound name

3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 298.9461 Da
Monoisotopic Mass: 2.3
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]+	299.953376	140.3
[M+Na]+	321.935318	155.7
[M-H]-	297.938824	147.4
[M+NH4]+	316.979923	154.0
[M+K]+	337.909258	145.8
[M+H-H2O]+	281.943360	135.4
[M+HCOO]-	343.944301	155.2
[M+CH3COO]-	357.959951	155.6
[M+Na-2H]-	319.920766	147.7
[M]+	298.94555142	170.3
[M]-	298.94664858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe