CID 210808

5-thiazolecarboxamide, 2-amino-n-(2,6-diethylphenyl)-4-methyl-

Structural Information

Molecular Formula
C15H19N3OS
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(N=C(S2)N)C
InChI
InChI=1S/C15H19N3OS/c1-4-10-7-6-8-11(5-2)12(10)18-14(19)13-9(3)17-15(16)20-13/h6-8H,4-5H2,1-3H3,(H2,16,17)(H,18,19)
InChIKey
SFJYLCPNDMGUJU-UHFFFAOYSA-N
Compound name
2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12488 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13216 167.8
[M+Na]+ 312.11410 176.2
[M-H]- 288.11760 173.7
[M+NH4]+ 307.15870 184.3
[M+K]+ 328.08804 171.1
[M+H-H2O]+ 272.12214 160.2
[M+HCOO]- 334.12308 186.9
[M+CH3COO]- 348.13873 206.5
[M+Na-2H]- 310.09955 166.0
[M]+ 289.12433 170.1
[M]- 289.12543 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.