CID 11703068

2-[(2-benzoyl-3-thienyl)oxy]-n-(o-tolyl)acetamide

Structural Information

Molecular Formula
C20H17NO3S
SMILES
CC1=CC=CC=C1NC(=O)COC2=C(SC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H17NO3S/c1-14-7-5-6-10-16(14)21-18(22)13-24-17-11-12-25-20(17)19(23)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,21,22)
InChIKey
NOZYINPQKJAOFP-UHFFFAOYSA-N
Compound name
2-(2-benzoylthiophen-3-yl)oxy-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

351.09293 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.100206 183.6
[M+Na]+ 374.082148 189.8
[M-H]- 350.085654 193.6
[M+NH4]+ 369.126753 198.0
[M+K]+ 390.056088 185.0
[M+H-H2O]+ 334.090190 175.3
[M+HCOO]- 396.091131 203.1
[M+CH3COO]- 410.106781 212.1
[M+Na-2H]- 372.067596 182.7
[M]+ 351.09238142 187.0
[M]- 351.09347858 187.0
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