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]+ 214.064476 146.8
[M+Na]+ 236.046418 153.5
[M-H]- 212.049924 149.1
[M+NH4]+ 231.091023 165.4
[M+K]+ 252.020358 151.7
[M+H-H2O]+ 196.054460 140.0
[M+HCOO]- 258.055401 164.8
[M+CH3COO]- 272.071051 189.4
[M+Na-2H]- 234.031866 145.7
[M]+ 213.05665142 147.1
[M]- 213.05774858 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.