CID 3087447

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

Structural Information

Molecular Formula
C19H16BrN3O2S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C19H16BrN3O2S/c1-2-23-16-9-12(3-8-17(16)25-10-18(23)24)15-11-26-19(22-15)21-14-6-4-13(20)5-7-14/h3-9,11H,2,10H2,1H3,(H,21,22)
InChIKey
SSBAPPSNKLTBHM-UHFFFAOYSA-N
Compound name
6-[2-(4-bromoanilino)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.01465 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.02193 183.0
[M+Na]+ 452.00387 188.2
[M+NH4]+ 447.04847 187.6
[M+K]+ 467.97781 186.6
[M-H]- 428.00737 188.3
[M+Na-2H]- 449.98932 187.3
[M]+ 429.01410 184.6
[M]- 429.01520 184.6
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.