CID 11139254

2,4-dihydroxy-7,8-dimethoxy-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula
C10H11NO6
SMILES
COC1=C(C2=C(C=C1)N(C(=O)C(O2)O)O)OC
InChI
InChI=1S/C10H11NO6/c1-15-6-4-3-5-7(8(6)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3
InChIKey
VBXNJRCPOOQJML-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-7,8-dimethoxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

241.05864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06592 147.3
[M+Na]+ 264.04786 157.2
[M-H]- 240.05136 149.4
[M+NH4]+ 259.09246 162.5
[M+K]+ 280.02180 156.7
[M+H-H2O]+ 224.05590 140.9
[M+HCOO]- 286.05684 164.5
[M+CH3COO]- 300.07249 188.5
[M+Na-2H]- 262.03331 153.0
[M]+ 241.05809 151.0
[M]- 241.05919 151.0
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