CID 155152182

5-methyl-n-(3-methylbutyl)-2-[(1,2-thiazol-4-yl)amino]-1,3-thiazole-4-carboxamide

Structural Information

Molecular Formula
C13H18N4OS2
SMILES
CC1=C(N=C(S1)NC2=CSN=C2)C(=O)NCCC(C)C
InChI
InChI=1S/C13H18N4OS2/c1-8(2)4-5-14-12(18)11-9(3)20-13(17-11)16-10-6-15-19-7-10/h6-8H,4-5H2,1-3H3,(H,14,18)(H,16,17)
InChIKey
RPFJMEILURFWTP-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-methylbutyl)-2-(1,2-thiazol-4-ylamino)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.0922 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09948 169.4
[M+Na]+ 333.08142 178.1
[M-H]- 309.08492 174.8
[M+NH4]+ 328.12602 185.9
[M+K]+ 349.05536 173.5
[M+H-H2O]+ 293.08946 162.1
[M+HCOO]- 355.09040 184.3
[M+CH3COO]- 369.10605 206.5
[M+Na-2H]- 331.06687 167.0
[M]+ 310.09165 174.5
[M]- 310.09275 174.5
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

patents stripe