CID 96649

5-amino-n-ethyl-2-methyl-n-phenylbenzenesulphonamide

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N)C
InChI
InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3
InChIKey
ZAXMFSSGOARPBM-UHFFFAOYSA-N
Compound name
5-amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

290.1089 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 165.5
[M+Na]+ 313.09812 172.8
[M-H]- 289.10162 173.4
[M+NH4]+ 308.14272 181.3
[M+K]+ 329.07206 168.9
[M+H-H2O]+ 273.10616 157.6
[M+HCOO]- 335.10710 185.4
[M+CH3COO]- 349.12275 206.6
[M+Na-2H]- 311.08357 168.8
[M]+ 290.10835 167.6
[M]- 290.10945 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe