CID 3056715

73826-16-1

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)NC3=NCCS3
InChI
InChI=1S/C19H18N2O2S/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/h2-9,12-13H,10-11H2,1H3,(H,20,21,23)
InChIKey
OPXZKLVWXBPJQN-UHFFFAOYSA-N
Compound name
2-(3-benzoylphenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 177.9
[M+Na]+ 361.09812 189.2
[M+NH4]+ 356.14272 185.5
[M+K]+ 377.07206 182.6
[M-H]- 337.10162 183.1
[M+Na-2H]- 359.08357 186.2
[M]+ 338.10835 181.3
[M]- 338.10945 181.3
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.