CID 5868344

2-(4-(allyloxy)-3-methoxybenzylidene)(1,3)thiazolo(3,2-a)benzimidazol-3(2h)-one

Structural Information

Molecular Formula
C20H16N2O3S
SMILES
COC1=C(C=CC(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)OCC=C
InChI
InChI=1S/C20H16N2O3S/c1-3-10-25-16-9-8-13(11-17(16)24-2)12-18-19(23)22-15-7-5-4-6-14(15)21-20(22)26-18/h3-9,11-12H,1,10H2,2H3/b18-12-
InChIKey
VNDTVULQITUODT-PDGQHHTCSA-N
Compound name
(2Z)-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08817 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09545 185.7
[M+Na]+ 387.07739 201.7
[M+NH4]+ 382.12199 193.5
[M+K]+ 403.05133 194.3
[M-H]- 363.08089 189.3
[M+Na-2H]- 385.06284 192.0
[M]+ 364.08762 189.6
[M]- 364.08872 189.6
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.