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

10
Patents

276.09326 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.100536 161.2
[M+Na]+ 299.082478 168.0
[M-H]- 275.085984 168.8
[M+NH4]+ 294.127083 177.2
[M+K]+ 315.056418 164.3
[M+H-H2O]+ 259.090520 153.3
[M+HCOO]- 321.091461 181.4
[M+CH3COO]- 335.107111 202.4
[M+Na-2H]- 297.067926 165.6
[M]+ 276.09271142 162.5
[M]- 276.09380858 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