CID 979076

2-[(4-bromophenyl)sulfanyl]-n-(2-methoxy-5-methylphenyl)acetamide

Structural Information

Molecular Formula
C16H16BrNO2S
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H16BrNO2S/c1-11-3-8-15(20-2)14(9-11)18-16(19)10-21-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
BALJXXHMMAMMRA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.01578 167.4
[M+Na]+ 387.99772 177.9
[M-H]- 364.00122 176.6
[M+NH4]+ 383.04232 184.3
[M+K]+ 403.97166 165.0
[M+H-H2O]+ 348.00576 165.7
[M+HCOO]- 410.00670 184.2
[M+CH3COO]- 424.02235 211.8
[M+Na-2H]- 385.98317 170.6
[M]+ 365.00795 189.6
[M]- 365.00905 189.6
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.