CID 42281841

1019108-37-2

Structural Information

Molecular Formula
C8H13N3OS
SMILES
CCCNC(=O)CC1=CSC(=N1)N
InChI
InChI=1S/C8H13N3OS/c1-2-3-10-7(12)4-6-5-13-8(9)11-6/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKey
BZUSHCNFBYZIHG-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07793 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08521 142.9
[M+Na]+ 222.06715 150.2
[M-H]- 198.07065 145.0
[M+NH4]+ 217.11175 162.5
[M+K]+ 238.04109 147.5
[M+H-H2O]+ 182.07519 136.0
[M+HCOO]- 244.07613 162.6
[M+CH3COO]- 258.09178 186.4
[M+Na-2H]- 220.05260 143.9
[M]+ 199.07738 143.7
[M]- 199.07848 143.7
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

No patent data available for this compound.