CID 122628

Tok-8801

Structural Information

Molecular Formula
C17H21N3OS
SMILES
CC1=C(SC2=NC(CN12)(C)C)C(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C17H21N3OS/c1-12-14(22-16-19-17(2,3)11-20(12)16)15(21)18-10-9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,18,21)
InChIKey
RJPFPRVTDMWNTH-UHFFFAOYSA-N
Compound name
3,6,6-trimethyl-N-(2-phenylethyl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

315.14053 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.147806 173.9
[M+Na]+ 338.129748 183.0
[M-H]- 314.133254 179.8
[M+NH4]+ 333.174353 193.3
[M+K]+ 354.103688 178.4
[M+H-H2O]+ 298.137790 167.3
[M+HCOO]- 360.138731 190.4
[M+CH3COO]- 374.154381 185.4
[M+Na-2H]- 336.115196 173.3
[M]+ 315.13998142 177.9
[M]- 315.14107858 177.9
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

patents stripe