CID 38711

5-bromo-2-hydroxy-3-methyl-n-(2-methylpropyl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₆BrNO₂

SMILES

CC1=CC(=CC(=C1O)C(=O)NCC(C)C)Br

InChI

InChI=1S/C12H16BrNO2/c1-7(2)6-14-12(16)10-5-9(13)4-8(3)11(10)15/h4-5,7,15H,6H2,1-3H3,(H,14,16)

InChIKey

BAQWMMJSDASBPG-UHFFFAOYSA-N

Compound name

5-bromo-2-hydroxy-3-methyl-N-(2-methylpropyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.03644 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]+	286.043716	157.6
[M+Na]+	308.025658	167.6
[M-H]-	284.029164	162.6
[M+NH4]+	303.070263	176.4
[M+K]+	323.999598	156.1
[M+H-H2O]+	268.033700	156.7
[M+HCOO]-	330.034641	176.5
[M+CH3COO]-	344.050291	199.8
[M+Na-2H]-	306.011106	160.2
[M]+	285.03589142	176.1
[M]-	285.03698858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe