CID 269654

S-(4-(acetylamino)phenyl) 4-(acetylamino)benzenesulfonothioate

Structural Information

Molecular Formula
C16H16N2O4S2
SMILES
CC(=O)NC1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H16N2O4S2/c1-11(19)17-13-3-7-15(8-4-13)23-24(21,22)16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
JAHDWOJBMXXCEL-UHFFFAOYSA-N
Compound name
N-[4-(4-acetamidophenyl)sulfonylsulfanylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

364.05515 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06243 181.6
[M+Na]+ 387.04437 187.3
[M-H]- 363.04787 187.4
[M+NH4]+ 382.08897 193.4
[M+K]+ 403.01831 181.5
[M+H-H2O]+ 347.05241 173.5
[M+HCOO]- 409.05335 194.1
[M+CH3COO]- 423.06900 214.2
[M+Na-2H]- 385.02982 183.5
[M]+ 364.05460 184.3
[M]- 364.05570 184.3
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