CID 64556720

(2r)-n-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide hydrochloride

Structural Information

Molecular Formula
C8H11N3O2S
SMILES
C[C@H](C(=O)NC1=NC(=CS1)C(=O)C)N
InChI
InChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/t4-/m1/s1
InChIKey
PANDLZPWXMPQCI-SCSAIBSYSA-N
Compound name
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.0572 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06448 146.8
[M+Na]+ 236.04642 153.5
[M-H]- 212.04992 149.1
[M+NH4]+ 231.09102 165.4
[M+K]+ 252.02036 151.7
[M+H-H2O]+ 196.05446 140.0
[M+HCOO]- 258.05540 164.8
[M+CH3COO]- 272.07105 189.4
[M+Na-2H]- 234.03187 145.7
[M]+ 213.05665 147.1
[M]- 213.05775 147.1
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.