CID 11492761

7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1,3-benzoxazin-2-one

Structural Information

Molecular Formula
C15H13NO4
SMILES
COC1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O
InChI
InChI=1S/C15H13NO4/c1-19-13-6-3-11(4-7-13)16-9-10-2-5-12(17)8-14(10)20-15(16)18/h2-8,17H,9H2,1H3
InChIKey
IBMJKJJMRYHRNQ-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

271.08447 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.091746 159.0
[M+Na]+ 294.073688 167.9
[M-H]- 270.077194 165.0
[M+NH4]+ 289.118293 173.0
[M+K]+ 310.047628 165.3
[M+H-H2O]+ 254.081730 150.6
[M+HCOO]- 316.082671 177.1
[M+CH3COO]- 330.098321 196.0
[M+Na-2H]- 292.059136 165.2
[M]+ 271.08392142 160.2
[M]- 271.08501858 160.2
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