CID 2455762

2h-1,4-benzoxazin-3(4h)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-

Structural Information

Molecular Formula
C18H14N2O3S
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4
InChI
InChI=1S/C18H14N2O3S/c1-22-13-5-2-11(3-6-13)18-20-15(10-24-18)12-4-7-16-14(8-12)19-17(21)9-23-16/h2-8,10H,9H2,1H3,(H,19,21)
InChIKey
IUFHJPHZYKPARD-UHFFFAOYSA-N
Compound name
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

338.0725 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07978 175.8
[M+Na]+ 361.06172 191.1
[M+NH4]+ 356.10632 184.1
[M+K]+ 377.03566 183.5
[M-H]- 337.06522 182.4
[M+Na-2H]- 359.04717 183.3
[M]+ 338.07195 180.4
[M]- 338.07305 180.4
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.