CID 3793108

734546-72-6

Structural Information

Molecular Formula
C16H19ClN2O2S2
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C16H19ClN2O2S2/c1-3-19(4-2)23(20,21)14-9-10-16(15(18)11-14)22-13-7-5-12(17)6-8-13/h5-11H,3-4,18H2,1-2H3
InChIKey
WJQTYYMUKRRTPL-UHFFFAOYSA-N
Compound name
3-amino-4-(4-chlorophenyl)sulfanyl-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.05765 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06493 181.7
[M+Na]+ 393.04687 189.5
[M-H]- 369.05037 188.9
[M+NH4]+ 388.09147 195.4
[M+K]+ 409.02081 182.3
[M+H-H2O]+ 353.05491 174.7
[M+HCOO]- 415.05585 190.9
[M+CH3COO]- 429.07150 218.4
[M+Na-2H]- 391.03232 182.2
[M]+ 370.05710 187.1
[M]- 370.05820 187.1
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.