CID 3700149

N-[(3,4-dimethoxyphenyl)methyl]-2,4,6-trimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₈H₂₃NO₄S

SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C18H23NO4S/c1-12-8-13(2)18(14(3)9-12)24(20,21)19-11-15-6-7-16(22-4)17(10-15)23-5/h6-10,19H,11H2,1-5H3

InChIKey

IJZNARCHSYINAH-UHFFFAOYSA-N

Compound name

N-[(3,4-dimethoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.13477 Da
Monoisotopic Mass: 3.4
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]+	350.142046	180.3
[M+Na]+	372.123988	189.0
[M-H]-	348.127494	187.8
[M+NH4]+	367.168593	194.3
[M+K]+	388.097928	185.0
[M+H-H2O]+	332.132030	172.5
[M+HCOO]-	394.132971	198.6
[M+CH3COO]-	408.148621	215.8
[M+Na-2H]-	370.109436	181.7
[M]+	349.13422142	187.9
[M]-	349.13531858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.