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]+ 277.01000 154.6
[M+Na]+ 298.99194 167.1
[M-H]- 274.99544 159.8
[M+NH4]+ 294.03654 174.5
[M+K]+ 314.96588 161.4
[M+H-H2O]+ 258.99998 149.6
[M+HCOO]- 321.00092 169.0
[M+CH3COO]- 335.01657 167.8
[M+Na-2H]- 296.97739 159.3
[M]+ 276.00217 161.0
[M]- 276.00327 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.