CID 108621

54687-44-4

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 173.7
[M+Na]+ 341.12942 185.3
[M+NH4]+ 336.17402 181.6
[M+K]+ 357.10336 177.0
[M-H]- 317.13292 178.8
[M+Na-2H]- 339.11487 182.6
[M]+ 318.13965 177.3
[M]- 318.14075 177.3
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