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]+ 240.025976 149.3
[M+Na]+ 262.007918 160.2
[M-H]- 238.011424 155.9
[M+NH4]+ 257.052523 169.6
[M+K]+ 277.981858 155.5
[M+H-H2O]+ 222.015960 143.2
[M+HCOO]- 284.016901 166.9
[M+CH3COO]- 298.032551 162.7
[M+Na-2H]- 259.993366 148.6
[M]+ 239.01815142 152.2
[M]- 239.01924858 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.