CID 3087433

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

Structural Information

Molecular Formula
C20H18N2O3S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H18N2O3S/c1-3-22-17-10-14(6-9-18(17)25-11-19(22)23)16-12-26-20(21-16)13-4-7-15(24-2)8-5-13/h4-10,12H,3,11H2,1-2H3
InChIKey
HNSXGBACTPEJJP-UHFFFAOYSA-N
Compound name
4-ethyl-6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10382 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11110 185.0
[M+Na]+ 389.09304 200.7
[M+NH4]+ 384.13764 193.3
[M+K]+ 405.06698 192.5
[M-H]- 365.09654 192.0
[M+Na-2H]- 387.07849 192.3
[M]+ 366.10327 189.9
[M]- 366.10437 189.9
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.