CID 11064107

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

Structural Information

Molecular Formula
C10H11NO5
SMILES
COC1=CC2=C(C=C1)N(C(=O)C(O2)O)OC
InChI
InChI=1S/C10H11NO5/c1-14-6-3-4-7-8(5-6)16-10(13)9(12)11(7)15-2/h3-5,10,13H,1-2H3
InChIKey
XCSFLMDXLJMLBA-UHFFFAOYSA-N
Compound name
2-hydroxy-4,7-dimethoxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

225.06372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 144.0
[M+Na]+ 248.05294 153.7
[M-H]- 224.05644 147.2
[M+NH4]+ 243.09754 160.5
[M+K]+ 264.02688 153.4
[M+H-H2O]+ 208.06098 137.4
[M+HCOO]- 270.06192 162.7
[M+CH3COO]- 284.07757 187.1
[M+Na-2H]- 246.03839 150.8
[M]+ 225.06317 147.7
[M]- 225.06427 147.7
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