CID 5275172

[1,1'-biphenyl]-2-propanamide, 2'-chloro-4'-methyl-n-2-thienyl-

Structural Information

Molecular Formula
C20H18ClNOS
SMILES
CC1=CC(=C(C=C1)C2=CC=CC=C2CCC(=O)NC3=CC=CS3)Cl
InChI
InChI=1S/C20H18ClNOS/c1-14-8-10-17(18(21)13-14)16-6-3-2-5-15(16)9-11-19(23)22-20-7-4-12-24-20/h2-8,10,12-13H,9,11H2,1H3,(H,22,23)
InChIKey
ICIFWOFEADEJNE-UHFFFAOYSA-N
Compound name
3-[2-(2-chloro-4-methylphenyl)phenyl]-N-thiophen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.07977 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08705 184.4
[M+Na]+ 378.06899 192.9
[M-H]- 354.07249 194.6
[M+NH4]+ 373.11359 200.4
[M+K]+ 394.04293 185.2
[M+H-H2O]+ 338.07703 177.2
[M+HCOO]- 400.07797 199.8
[M+CH3COO]- 414.09362 195.6
[M+Na-2H]- 376.05444 183.1
[M]+ 355.07922 189.1
[M]- 355.08032 189.1
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.