CID 3087433

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

Structural Information

Molecular Formula
C20H18N2O3S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H18N2O3S/c1-3-22-17-10-14(6-9-18(17)25-11-19(22)23)16-12-26-20(21-16)13-4-7-15(24-2)8-5-13/h4-10,12H,3,11H2,1-2H3
InChIKey
HNSXGBACTPEJJP-UHFFFAOYSA-N
Compound name
4-ethyl-6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10382 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.111096 185.9
[M+Na]+ 389.093038 195.7
[M-H]- 365.096544 195.2
[M+NH4]+ 384.137643 197.9
[M+K]+ 405.066978 191.1
[M+H-H2O]+ 349.101080 177.0
[M+HCOO]- 411.102021 199.9
[M+CH3COO]- 425.117671 196.7
[M+Na-2H]- 387.078486 185.7
[M]+ 366.10327142 190.6
[M]- 366.10436858 190.6
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.