CID 170559

41682-04-6

Structural Information

Molecular Formula
C15H19N2OS
SMILES
CC[N+]1=C(SCC1)C=CN(C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C15H19N2OS/c1-3-16-11-12-19-15(16)9-10-17(13(2)18)14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3/q+1
InChIKey
SGAQJKOFUDCNIW-UHFFFAOYSA-N
Compound name
N-[2-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.1218 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12908 165.6
[M+Na]+ 298.11102 171.5
[M-H]- 274.11452 172.4
[M+NH4]+ 293.15562 182.7
[M+K]+ 314.08496 162.6
[M+H-H2O]+ 258.11906 160.3
[M+HCOO]- 320.12000 183.4
[M+CH3COO]- 334.13565 193.9
[M+Na-2H]- 296.09647 166.9
[M]+ 275.12125 165.9
[M]- 275.12235 165.9
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