CID 829650

518350-11-3

Structural Information

Molecular Formula
C9H9N3OS2
SMILES
CC(=O)NC1=C(N=C(S1)N)C2=CC=CS2
InChI
InChI=1S/C9H9N3OS2/c1-5(13)11-8-7(12-9(10)15-8)6-3-2-4-14-6/h2-4H,1H3,(H2,10,12)(H,11,13)
InChIKey
FRBSZMIINJLVAW-UHFFFAOYSA-N
Compound name
N-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0187 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.02598 149.3
[M+Na]+ 262.00792 160.2
[M-H]- 238.01142 155.9
[M+NH4]+ 257.05252 169.6
[M+K]+ 277.98186 155.5
[M+H-H2O]+ 222.01596 143.2
[M+HCOO]- 284.01690 166.9
[M+CH3COO]- 298.03255 162.7
[M+Na-2H]- 259.99337 148.6
[M]+ 239.01815 152.2
[M]- 239.01925 152.2
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.