CID 24701450

2-amino-4-methyl-n-(1,3-thiazol-2-yl)pentanamide

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CC(C)CC(C(=O)NC1=NC=CS1)N
InChI
InChI=1S/C9H15N3OS/c1-6(2)5-7(10)8(13)12-9-11-3-4-14-9/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13)
InChIKey
DVYUPIGMLMFLTJ-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.09358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.100856 149.1
[M+Na]+ 236.082798 154.4
[M-H]- 212.086304 150.9
[M+NH4]+ 231.127403 167.6
[M+K]+ 252.056738 152.6
[M+H-H2O]+ 196.090840 141.9
[M+HCOO]- 258.091781 166.4
[M+CH3COO]- 272.107431 190.0
[M+Na-2H]- 234.068246 148.1
[M]+ 213.09303142 148.7
[M]- 213.09412858 148.7
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