CID 3087430

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

Structural Information

Molecular Formula
C19H16N2O2S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N2O2S/c1-2-21-16-10-14(8-9-17(16)23-11-18(21)22)15-12-24-19(20-15)13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3
InChIKey
QWTKWTYQENETTB-UHFFFAOYSA-N
Compound name
4-ethyl-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09326 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10054 176.6
[M+Na]+ 359.08248 192.8
[M+NH4]+ 354.12708 185.7
[M+K]+ 375.05642 184.1
[M-H]- 335.08598 184.1
[M+Na-2H]- 357.06793 184.9
[M]+ 336.09271 181.8
[M]- 336.09381 181.8
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.