CID 3063840

Brn 5610101

Structural Information

Molecular Formula
C17H21N3OS
SMILES
CC1CN2C(=C(SC2=N1)C(=O)NC3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C17H21N3OS/c1-9-6-10(2)14(11(3)7-9)19-16(21)15-13(5)20-8-12(4)18-17(20)22-15/h6-7,12H,8H2,1-5H3,(H,19,21)
InChIKey
RUHTYUASRZIIDA-UHFFFAOYSA-N
Compound name
3,6-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.14053 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.147806 176.0
[M+Na]+ 338.129748 186.6
[M-H]- 314.133254 182.8
[M+NH4]+ 333.174353 194.2
[M+K]+ 354.103688 181.8
[M+H-H2O]+ 298.137790 169.7
[M+HCOO]- 360.138731 192.2
[M+CH3COO]- 374.154381 211.2
[M+Na-2H]- 336.115196 171.9
[M]+ 315.13998142 180.8
[M]- 315.14107858 180.8
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.