CID 391250

Nsc690147

Structural Information

Molecular Formula
C12H8N2O2S2
SMILES
CC(=O)NC1=NC2=C(S1)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C12H8N2O2S2/c1-6(15)13-12-14-9-10(16)7-4-2-3-5-8(7)17-11(9)18-12/h2-5H,1H3,(H,13,14,15)
InChIKey
AIAHJCHUVPXPAD-UHFFFAOYSA-N
Compound name
N-(9-oxothiochromeno[3,2-d][1,3]thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.00272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.009996 154.6
[M+Na]+ 298.991938 167.1
[M-H]- 274.995444 159.8
[M+NH4]+ 294.036543 174.5
[M+K]+ 314.965878 161.4
[M+H-H2O]+ 258.999980 149.6
[M+HCOO]- 321.000921 169.0
[M+CH3COO]- 335.016571 167.8
[M+Na-2H]- 296.977386 159.3
[M]+ 276.00217142 161.0
[M]- 276.00326858 161.0
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.