CID 44608229

Epaminurad

Structural Information

Molecular Formula
C14H10Br2N2O3
SMILES
C1COC2=C(N1C(=O)C3=CC(=C(C(=C3)Br)O)Br)C=NC=C2
InChI
InChI=1S/C14H10Br2N2O3/c15-9-5-8(6-10(16)13(9)19)14(20)18-3-4-21-12-1-2-17-7-11(12)18/h1-2,5-7,19H,3-4H2
InChIKey
ZMVGQIIOXCGAFV-UHFFFAOYSA-N
Compound name
(3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

411.90582 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.91310 163.6
[M+Na]+ 434.89504 173.0
[M-H]- 410.89854 170.6
[M+NH4]+ 429.93964 176.0
[M+K]+ 450.86898 159.3
[M+H-H2O]+ 394.90308 170.6
[M+HCOO]- 456.90402 173.4
[M+CH3COO]- 470.91967 175.2
[M+Na-2H]- 432.88049 169.5
[M]+ 411.90527 197.1
[M]- 411.90637 197.1
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

patents stripe