CID 3059701

Imidazo(2,1-b)thiazole-2-carboxamide, 5,6-dihydro-n-mesityl-3,6,6-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C18H23N3OS
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2=C(N3CC(N=C3S2)(C)C)C)C
InChI
InChI=1S/C18H23N3OS/c1-10-7-11(2)14(12(3)8-10)19-16(22)15-13(4)21-9-18(5,6)20-17(21)23-15/h7-8H,9H2,1-6H3,(H,19,22)
InChIKey
UFPOSOBEAXZYGG-UHFFFAOYSA-N
Compound name
3,6,6-trimethyl-N-(2,4,6-trimethylphenyl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.1562 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16348 177.3
[M+Na]+ 352.14542 188.4
[M-H]- 328.14892 184.1
[M+NH4]+ 347.19002 197.0
[M+K]+ 368.11936 183.6
[M+H-H2O]+ 312.15346 171.6
[M+HCOO]- 374.15440 193.3
[M+CH3COO]- 388.17005 213.7
[M+Na-2H]- 350.13087 174.5
[M]+ 329.15565 182.8
[M]- 329.15675 182.8
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.