CID 15955645

Chembl383802

Structural Information

Molecular Formula
C18H23N3O4
SMILES
CCCCOC1C(=O)N(C2=C(O1)C=CC(=C2)C(CN3C=CN=C3)O)C
InChI
InChI=1S/C18H23N3O4/c1-3-4-9-24-18-17(23)20(2)14-10-13(5-6-16(14)25-18)15(22)11-21-8-7-19-12-21/h5-8,10,12,15,18,22H,3-4,9,11H2,1-2H3
InChIKey
CYFLQOJDVLORDZ-UHFFFAOYSA-N
Compound name
2-butoxy-6-(1-hydroxy-2-imidazol-1-ylethyl)-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.16885 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17613 183.3
[M+Na]+ 368.15807 190.1
[M-H]- 344.16157 186.0
[M+NH4]+ 363.20267 193.2
[M+K]+ 384.13201 187.0
[M+H-H2O]+ 328.16611 173.7
[M+HCOO]- 390.16705 197.3
[M+CH3COO]- 404.18270 211.0
[M+Na-2H]- 366.14352 183.5
[M]+ 345.16830 186.6
[M]- 345.16940 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.