CID 92174341

Benzyl[benzyl(methyl)sulfamoyl]methylamine

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂S

SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2S/c1-17(13-15-9-5-3-6-10-15)21(19,20)18(2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3

InChIKey

SBWWIMFLDVCMTG-UHFFFAOYSA-N

Compound name

N-[benzyl(methyl)sulfamoyl]-N-methyl-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.12454 Da
Monoisotopic Mass: 2.4
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]+	305.131816	170.0
[M+Na]+	327.113758	175.2
[M-H]-	303.117264	178.9
[M+NH4]+	322.158363	185.5
[M+K]+	343.087698	172.8
[M+H-H2O]+	287.121800	161.3
[M+HCOO]-	349.122741	190.7
[M+CH3COO]-	363.138391	211.2
[M+Na-2H]-	325.099206	174.5
[M]+	304.12399142	173.9
[M]-	304.12508858	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.