CID 42821

5-bromo-n-ethyl-2-methoxy-3-methylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂

SMILES

CCNC(=O)C1=C(C(=CC(=C1)Br)C)OC

InChI

InChI=1S/C11H14BrNO2/c1-4-13-11(14)9-6-8(12)5-7(2)10(9)15-3/h5-6H,4H2,1-3H3,(H,13,14)

InChIKey

OTEOCYIZBHFSHP-UHFFFAOYSA-N

Compound name

5-bromo-N-ethyl-2-methoxy-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.02078 Da
Monoisotopic Mass: 2.6
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]+	272.028056	151.6
[M+Na]+	294.009998	162.8
[M-H]-	270.013504	158.1
[M+NH4]+	289.054603	171.8
[M+K]+	309.983938	151.9
[M+H-H2O]+	254.018040	150.7
[M+HCOO]-	316.018981	173.3
[M+CH3COO]-	330.034631	198.5
[M+Na-2H]-	291.995446	156.5
[M]+	271.02023142	172.2
[M]-	271.02132858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.