CID 458886

3-chloro-n1-methylsulfanilo-p-toluidide

Structural Information

Molecular Formula
C14H15ClN2O2S
SMILES
CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)N)Cl
InChI
InChI=1S/C14H15ClN2O2S/c1-10-3-5-11(6-4-10)17(2)20(18,19)12-7-8-14(16)13(15)9-12/h3-9H,16H2,1-2H3
InChIKey
VNTXTMXBHFWSKG-UHFFFAOYSA-N
Compound name
4-amino-3-chloro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 167.7
[M+Na]+ 333.04352 176.9
[M-H]- 309.04702 176.1
[M+NH4]+ 328.08812 183.9
[M+K]+ 349.01746 171.7
[M+H-H2O]+ 293.05156 161.2
[M+HCOO]- 355.05250 183.3
[M+CH3COO]- 369.06815 208.4
[M+Na-2H]- 331.02897 170.4
[M]+ 310.05375 172.1
[M]- 310.05485 172.1
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

No patent data available for this compound.