CID 3787100

5-amino-2-chloro-n-ethyl-n-phenylbenzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe