CID 3087445

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

Structural Information

Molecular Formula
C20H19N3O2S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)C
InChI
InChI=1S/C20H19N3O2S/c1-3-23-17-10-14(6-9-18(17)25-11-19(23)24)16-12-26-20(22-16)21-15-7-4-13(2)5-8-15/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKey
AKMYIUVRONFICL-UHFFFAOYSA-N
Compound name
4-ethyl-6-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1198 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12708 185.5
[M+Na]+ 388.10902 200.4
[M+NH4]+ 383.15362 193.8
[M+K]+ 404.08296 192.1
[M-H]- 364.11252 193.2
[M+Na-2H]- 386.09447 193.0
[M]+ 365.11925 190.4
[M]- 365.12035 190.4
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.