CID 210813

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

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2=C(N=C(S2)N)C)C
InChI
InChI=1S/C14H17N3OS/c1-7-5-8(2)11(9(3)6-7)17-13(18)12-10(4)16-14(15)19-12/h5-6H,1-4H3,(H2,15,16)(H,17,18)
InChIKey
NJHVQEJXKUFUMU-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

61
Patents

275.10922 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 163.5
[M+Na]+ 298.09844 173.2
[M-H]- 274.10194 170.0
[M+NH4]+ 293.14304 180.9
[M+K]+ 314.07238 168.3
[M+H-H2O]+ 258.10648 156.4
[M+HCOO]- 320.10742 182.9
[M+CH3COO]- 334.12307 204.8
[M+Na-2H]- 296.08389 161.5
[M]+ 275.10867 165.9
[M]- 275.10977 165.9
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