CID 3062175

Brn 5120575

Structural Information

Molecular Formula

C₂₀H₁₇BrN₂O₂

SMILES

CC1=C(C(=O)C(=C(N1C2=CC=CC=C2)C)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H17BrN2O2/c1-13-17(20(25)22-15-9-5-3-6-10-15)19(24)18(21)14(2)23(13)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,22,25)

InChIKey

DLDISEQWTQYBIX-UHFFFAOYSA-N

Compound name

5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 396.04733 Da
Monoisotopic Mass: 4.5
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]+	397.05461	184.1
[M+Na]+	419.03655	195.2
[M-H]-	395.04005	195.2
[M+NH4]+	414.08115	197.6
[M+K]+	435.01049	182.1
[M+H-H2O]+	379.04459	180.6
[M+HCOO]-	441.04553	204.4
[M+CH3COO]-	455.06118	220.0
[M+Na-2H]-	417.02200	187.8
[M]+	396.04678	203.5
[M]-	396.04788	203.5

Literature stripe

literature stripe

Patent stripe

patents stripe