CID 53037059

2-(1,5-dimethyl-1h-pyrrol-2-yl)-n-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide

Structural Information

Molecular Formula
C18H19N3OS
SMILES
CC1=CC=C(N1C)C2=NC(=CS2)C(=O)NC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C18H19N3OS/c1-11-7-12(2)9-14(8-11)19-17(22)15-10-23-18(20-15)16-6-5-13(3)21(16)4/h5-10H,1-4H3,(H,19,22)
InChIKey
POKIZERKXRCUHZ-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.12488 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13216 176.9
[M+Na]+ 348.11410 188.4
[M-H]- 324.11760 186.7
[M+NH4]+ 343.15870 193.4
[M+K]+ 364.08804 182.8
[M+H-H2O]+ 308.12214 169.3
[M+HCOO]- 370.12308 197.4
[M+CH3COO]- 384.13873 189.6
[M+Na-2H]- 346.09955 174.0
[M]+ 325.12433 183.0
[M]- 325.12543 183.0
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.