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]+ 371.061576 185.5
[M+Na]+ 393.043518 196.8
[M-H]- 369.047024 194.9
[M+NH4]+ 388.088123 198.4
[M+K]+ 409.017458 190.5
[M+H-H2O]+ 353.051560 177.3
[M+HCOO]- 415.052501 195.1
[M+CH3COO]- 429.068151 196.5
[M+Na-2H]- 391.028966 185.1
[M]+ 370.05375142 190.7
[M]- 370.05484858 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.