CID 23438259

364794-56-9

Structural Information

Molecular Formula

C₁₁H₁₆BrN₃O

SMILES

C1COCCN1CCNC2=NC=C(C=C2)Br

InChI

InChI=1S/C11H16BrN3O/c12-10-1-2-11(14-9-10)13-3-4-15-5-7-16-8-6-15/h1-2,9H,3-8H2,(H,13,14)

InChIKey

OBYPVXGEXMMHLO-UHFFFAOYSA-N

Compound name

5-bromo-N-(2-morpholin-4-ylethyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 285.04767 Da
Monoisotopic Mass: 1.5
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]+	286.05495	156.6
[M+Na]+	308.03689	164.4
[M-H]-	284.04039	162.5
[M+NH4]+	303.08149	171.5
[M+K]+	324.01083	154.2
[M+H-H2O]+	268.04493	153.8
[M+HCOO]-	330.04587	173.1
[M+CH3COO]-	344.06152	196.9
[M+Na-2H]-	306.02234	164.5
[M]+	285.04712	171.9
[M]-	285.04822	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe