CID 3087446

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

Structural Information

Molecular Formula
C19H16ClN3O2S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H16ClN3O2S/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
HYHXWKIUUXBRLO-UHFFFAOYSA-N
Compound name
6-[2-(4-chloroanilino)-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

385.0652 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07248 188.0
[M+Na]+ 408.05442 204.0
[M+NH4]+ 403.09902 196.7
[M+K]+ 424.02836 194.9
[M-H]- 384.05792 195.8
[M+Na-2H]- 406.03987 195.7
[M]+ 385.06465 193.4
[M]- 385.06575 193.4
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.