CID 3042318

2-(3-benzoylphenyl)-n-(2-thiazolyl)propionamide

Structural Information

Molecular Formula
C19H16N2O2S
SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)NC3=NC=CS3
InChI
InChI=1S/C19H16N2O2S/c1-13(18(23)21-19-20-10-11-24-19)15-8-5-9-16(12-15)17(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,23)
InChIKey
OIIAVXZGGJLVSO-UHFFFAOYSA-N
Compound name
2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

336.09326 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10054 179.2
[M+Na]+ 359.08248 184.9
[M-H]- 335.08598 187.8
[M+NH4]+ 354.12708 192.7
[M+K]+ 375.05642 180.0
[M+H-H2O]+ 319.09052 170.4
[M+HCOO]- 381.09146 196.6
[M+CH3COO]- 395.10711 209.4
[M+Na-2H]- 357.06793 178.4
[M]+ 336.09271 180.4
[M]- 336.09381 180.4
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

patents stripe