CID 108621

Benzenesulfonamide, 3-((ethylphenylamino)methyl)-n,n-dimethyl-

Structural Information

Molecular Formula
C17H22N2O2S
SMILES
CCN(CC1=CC(=CC=C1)S(=O)(=O)N(C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H22N2O2S/c1-4-19(16-10-6-5-7-11-16)14-15-9-8-12-17(13-15)22(20,21)18(2)3/h5-13H,4,14H2,1-3H3
InChIKey
VBSRQOCTUKZSHQ-UHFFFAOYSA-N
Compound name
3-[(N-ethylanilino)methyl]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.1402 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14748 174.2
[M+Na]+ 341.12942 179.8
[M-H]- 317.13292 183.3
[M+NH4]+ 336.17402 189.5
[M+K]+ 357.10336 177.2
[M+H-H2O]+ 301.13746 165.5
[M+HCOO]- 363.13840 194.5
[M+CH3COO]- 377.15405 215.3
[M+Na-2H]- 339.11487 177.6
[M]+ 318.13965 178.9
[M]- 318.14075 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe