CID 43452465

2-amino-n-[(2-chlorophenyl)methyl]-6-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂S

SMILES

CC1=C(C(=CC=C1)N)S(=O)(=O)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C14H15ClN2O2S/c1-10-5-4-8-13(16)14(10)20(18,19)17-9-11-6-2-3-7-12(11)15/h2-8,17H,9,16H2,1H3

InChIKey

KFIDFXQVTRWDCK-UHFFFAOYSA-N

Compound name

2-amino-N-[(2-chlorophenyl)methyl]-6-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.0543 Da
Monoisotopic Mass: 3.2
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]+	311.061576	167.9
[M+Na]+	333.043518	177.0
[M-H]-	309.047024	174.8
[M+NH4]+	328.088123	183.5
[M+K]+	349.017458	170.3
[M+H-H2O]+	293.051560	161.5
[M+HCOO]-	355.052501	183.0
[M+CH3COO]-	369.068151	205.2
[M+Na-2H]-	331.028966	171.2
[M]+	310.05375142	171.0
[M]-	310.05484858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.