CID 25400580

1087624-28-9

Structural Information

Molecular Formula
C18H17NO4S
SMILES
CCOC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3SC)OC
InChI
InChI=1S/C18H17NO4S/c1-4-22-15-9-12-13(10-14(15)21-2)19-17(23-18(12)20)11-7-5-6-8-16(11)24-3/h5-10H,4H2,1-3H3
InChIKey
JTQBMTFVGGUDPN-UHFFFAOYSA-N
Compound name
6-ethoxy-7-methoxy-2-(2-methylsulfanylphenyl)-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

343.08783 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09511 177.8
[M+Na]+ 366.07705 194.5
[M+NH4]+ 361.12165 185.9
[M+K]+ 382.05099 184.7
[M-H]- 342.08055 183.8
[M+Na-2H]- 364.06250 185.3
[M]+ 343.08728 182.7
[M]- 343.08838 182.7
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

patents stripe