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]+ 311.061576 167.7
[M+Na]+ 333.043518 176.9
[M-H]- 309.047024 176.1
[M+NH4]+ 328.088123 183.9
[M+K]+ 349.017458 171.7
[M+H-H2O]+ 293.051560 161.2
[M+HCOO]- 355.052501 183.3
[M+CH3COO]- 369.068151 208.4
[M+Na-2H]- 331.028966 170.4
[M]+ 310.05375142 172.1
[M]- 310.05484858 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.