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 170.0
[M+Na]+ 331.05117 185.0
[M-H]- 307.05467 178.7
[M+NH4]+ 326.09577 189.5
[M+K]+ 347.02511 178.6
[M+H-H2O]+ 291.05921 163.6
[M+HCOO]- 353.06015 191.0
[M+CH3COO]- 367.07580 184.1
[M+Na-2H]- 329.03662 172.8
[M]+ 308.06140 179.0
[M]- 308.06250 179.0
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.