CID 684667

155099-27-7

Structural Information

Molecular Formula
C17H12N2O2S
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C17H12N2O2S/c1-21-12-8-6-11(7-9-12)10-15-16(20)19-14-5-3-2-4-13(14)18-17(19)22-15/h2-10H,1H3/b15-10+
InChIKey
WZCYBAPHQGWHEL-XNTDXEJSSA-N
Compound name
(2E)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.06195 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06923 168.6
[M+Na]+ 331.05117 185.4
[M+NH4]+ 326.09577 177.9
[M+K]+ 347.02511 178.1
[M-H]- 307.05467 173.0
[M+Na-2H]- 329.03662 176.5
[M]+ 308.06140 173.0
[M]- 308.06250 173.0
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.