CID 3774261

3-amino-4-chloro-n-ethyl-n-phenylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C14H15ClN2O2S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C14H15ClN2O2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2,16H2,1H3
InChIKey
ADXNDRWIQBHXKF-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

310.0543 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.061576 167.8
[M+Na]+ 333.043518 176.2
[M-H]- 309.047024 175.8
[M+NH4]+ 328.088123 183.7
[M+K]+ 349.017458 170.8
[M+H-H2O]+ 293.051560 161.0
[M+HCOO]- 355.052501 183.4
[M+CH3COO]- 369.068151 207.2
[M+Na-2H]- 331.028966 171.1
[M]+ 310.05375142 171.8
[M]- 310.05484858 171.8
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