CID 3048916

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

Structural Information

Molecular Formula
C21H21N3OS
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2=C(N3CCN=C3S2)C4=CC=CC=C4)C
InChI
InChI=1S/C21H21N3OS/c1-13-11-14(2)17(15(3)12-13)23-20(25)19-18(16-7-5-4-6-8-16)24-10-9-22-21(24)26-19/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)
InChIKey
GNTQUXIOZNMQSA-UHFFFAOYSA-N
Compound name
3-phenyl-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

2
Patents

363.14053 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14781 187.8
[M+Na]+ 386.12975 197.2
[M-H]- 362.13325 197.3
[M+NH4]+ 381.17435 203.2
[M+K]+ 402.10369 191.0
[M+H-H2O]+ 346.13779 180.0
[M+HCOO]- 408.13873 204.3
[M+CH3COO]- 422.15438 198.7
[M+Na-2H]- 384.11520 184.5
[M]+ 363.13998 191.1
[M]- 363.14108 191.1
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