CID 724165

303092-93-5

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)11-17-13-20-19(24-17)21-18(22)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,21,22)
InChIKey
LHJAYASKUKCJIA-UHFFFAOYSA-N
Compound name
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.1089 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 179.2
[M+Na]+ 361.09812 186.3
[M-H]- 337.10162 188.0
[M+NH4]+ 356.14272 193.2
[M+K]+ 377.07206 180.8
[M+H-H2O]+ 321.10616 170.2
[M+HCOO]- 383.10710 198.5
[M+CH3COO]- 397.12275 190.0
[M+Na-2H]- 359.08357 179.8
[M]+ 338.10835 182.6
[M]- 338.10945 182.6
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

No patent data available for this compound.