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

35
Patents

271.08447 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 159.5
[M+Na]+ 294.07369 174.7
[M+NH4]+ 289.11829 167.3
[M+K]+ 310.04763 168.2
[M-H]- 270.07719 164.4
[M+Na-2H]- 292.05914 166.2
[M]+ 271.08392 163.1
[M]- 271.08502 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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