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 176.0
[M+Na]+ 361.06172 185.6
[M-H]- 337.06522 184.1
[M+NH4]+ 356.10632 188.3
[M+K]+ 377.03566 180.5
[M+H-H2O]+ 321.06976 167.8
[M+HCOO]- 383.07070 189.4
[M+CH3COO]- 397.08635 186.8
[M+Na-2H]- 359.04717 177.4
[M]+ 338.07195 178.1
[M]- 338.07305 178.1
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.