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]+ 367.11110 185.9
[M+Na]+ 389.09304 195.7
[M-H]- 365.09654 195.2
[M+NH4]+ 384.13764 197.9
[M+K]+ 405.06698 191.1
[M+H-H2O]+ 349.10108 177.0
[M+HCOO]- 411.10202 199.9
[M+CH3COO]- 425.11767 196.7
[M+Na-2H]- 387.07849 185.7
[M]+ 366.10327 190.6
[M]- 366.10437 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.