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 173.2
[M+Na]+ 347.04607 188.1
[M-H]- 323.04957 180.9
[M+NH4]+ 342.09067 191.4
[M+K]+ 363.02001 181.6
[M+H-H2O]+ 307.05411 167.2
[M+HCOO]- 369.05505 192.7
[M+CH3COO]- 383.07070 186.6
[M+Na-2H]- 345.03152 175.3
[M]+ 324.05630 182.2
[M]- 324.05740 182.2
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.