CID 832628

4-amino-n-benzyl-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H16N2O2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11,15H2,1H3
InChIKey
WRHRPSBTFMCMFN-UHFFFAOYSA-N
Compound name
4-amino-N-benzyl-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

276.09326 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 161.2
[M+Na]+ 299.08248 168.0
[M-H]- 275.08598 168.8
[M+NH4]+ 294.12708 177.2
[M+K]+ 315.05642 164.3
[M+H-H2O]+ 259.09052 153.3
[M+HCOO]- 321.09146 181.4
[M+CH3COO]- 335.10711 202.4
[M+Na-2H]- 297.06793 165.6
[M]+ 276.09271 162.5
[M]- 276.09381 162.5
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