CID 71305760

1251003-11-8

Structural Information

Molecular Formula

C₉H₈BrN₃O₂

SMILES

CCOC(=O)C1=C2N=CC(=CN2C=N1)Br

InChI

InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8-11-3-6(10)4-13(8)5-12-7/h3-5H,2H2,1H3

InChIKey

FTBIIQQYFCUUKD-UHFFFAOYSA-N

Compound name

ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 268.97998 Da
Monoisotopic Mass: 2.4
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]+	269.98726	152.1
[M+Na]+	291.96920	155.9
[M+NH4]+	287.01380	155.5
[M+K]+	307.94314	157.8
[M-H]-	267.97270	150.6
[M+Na-2H]-	289.95465	154.4
[M]+	268.97943	150.9
[M]-	268.98053	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe