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

1
Patents

310.0543 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06158 167.8
[M+Na]+ 333.04352 176.2
[M-H]- 309.04702 175.8
[M+NH4]+ 328.08812 183.7
[M+K]+ 349.01746 170.8
[M+H-H2O]+ 293.05156 161.0
[M+HCOO]- 355.05250 183.4
[M+CH3COO]- 369.06815 207.2
[M+Na-2H]- 331.02897 171.1
[M]+ 310.05375 171.8
[M]- 310.05485 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