CID 2442

Bromhexine

Structural Information

Molecular Formula

C₁₄H₂₀Br₂N₂

SMILES

CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2

InChI

InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3

InChIKey

OJGDCBLYJGHCIH-UHFFFAOYSA-N

Compound name

2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 668
References: 11140
Patents: 373.99933 Da
Monoisotopic Mass: 4.3
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]+	375.00661	168.0
[M+Na]+	396.98855	174.6
[M-H]-	372.99205	176.4
[M+NH4]+	392.03315	184.0
[M+K]+	412.96249	158.7
[M+H-H2O]+	356.99659	173.4
[M+HCOO]-	418.99753	181.8
[M+CH3COO]-	433.01318	220.8
[M+Na-2H]-	394.97400	170.2
[M]+	373.99878	197.4
[M]-	373.99988	197.4

Literature stripe

literature stripe

Patent stripe

patents stripe