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]+ 316.14781 176.0
[M+Na]+ 338.12975 186.6
[M-H]- 314.13325 182.8
[M+NH4]+ 333.17435 194.2
[M+K]+ 354.10369 181.8
[M+H-H2O]+ 298.13779 169.7
[M+HCOO]- 360.13873 192.2
[M+CH3COO]- 374.15438 211.2
[M+Na-2H]- 336.11520 171.9
[M]+ 315.13998 180.8
[M]- 315.14108 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.