CID 980079

N-(4-bromo-3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide

Structural Information

Molecular Formula
C16H16BrNOS
SMILES
CC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)Br)C
InChI
InChI=1S/C16H16BrNOS/c1-11-3-6-14(7-4-11)20-10-16(19)18-13-5-8-15(17)12(2)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
HGHVJGZKISEONX-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0136 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.02088 164.3
[M+Na]+ 372.00282 175.1
[M-H]- 348.00632 173.6
[M+NH4]+ 367.04742 181.9
[M+K]+ 387.97676 161.6
[M+H-H2O]+ 332.01086 162.9
[M+HCOO]- 394.01180 180.9
[M+CH3COO]- 408.02745 209.9
[M+Na-2H]- 369.98827 167.4
[M]+ 349.01305 185.2
[M]- 349.01415 185.2
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.