CID 85592

16766-09-9

Structural Information

Molecular Formula
C16H16N2O2S2
SMILES
CC(=O)NC1=CC=C(C=C1)SSC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H16N2O2S2/c1-11(19)17-13-3-7-15(8-4-13)21-22-16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
XDZOVXPAGVIXBS-UHFFFAOYSA-N
Compound name
N-[4-[(4-acetamidophenyl)disulfanyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

116
Patents

332.0653 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07258 173.5
[M+Na]+ 355.05452 179.2
[M-H]- 331.05802 179.3
[M+NH4]+ 350.09912 187.1
[M+K]+ 371.02846 172.8
[M+H-H2O]+ 315.06256 165.4
[M+HCOO]- 377.06350 186.8
[M+CH3COO]- 391.07915 211.0
[M+Na-2H]- 353.03997 174.0
[M]+ 332.06475 175.5
[M]- 332.06585 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe