CID 668008

Brn 0302889

Structural Information

Molecular Formula
C17H12N2O3S
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2)O
InChI
InChI=1S/C17H12N2O3S/c1-22-14-8-10(6-7-13(14)20)9-15-16(21)19-12-5-3-2-4-11(12)18-17(19)23-15/h2-9,20H,1H3/b15-9+
InChIKey
OUKLOIYJTOCKIT-OQLLNIDSSA-N
Compound name
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.05685 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06413 173.1
[M+Na]+ 347.04607 189.1
[M+NH4]+ 342.09067 181.3
[M+K]+ 363.02001 182.8
[M-H]- 323.04957 176.5
[M+Na-2H]- 345.03152 179.7
[M]+ 324.05630 176.9
[M]- 324.05740 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.