CID 3087432

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

Structural Information

Molecular Formula
C19H15ClN2O2S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN2O2S/c1-2-22-16-9-13(5-8-17(16)24-10-18(22)23)15-11-25-19(21-15)12-3-6-14(20)7-4-12/h3-9,11H,2,10H2,1H3
InChIKey
LSJVAHRMSWZDDG-UHFFFAOYSA-N
Compound name
6-[2-(4-chlorophenyl)-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

370.0543 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06158 185.5
[M+Na]+ 393.04352 196.8
[M-H]- 369.04702 194.9
[M+NH4]+ 388.08812 198.4
[M+K]+ 409.01746 190.5
[M+H-H2O]+ 353.05156 177.3
[M+HCOO]- 415.05250 195.1
[M+CH3COO]- 429.06815 196.5
[M+Na-2H]- 391.02897 185.1
[M]+ 370.05375 190.7
[M]- 370.05485 190.7
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.