CID 14893473

2,4-dihydroxy-6,7-dimethoxy-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula
C10H11NO6
SMILES
COC1=C(C=C2C(=C1)N(C(=O)C(O2)O)O)OC
InChI
InChI=1S/C10H11NO6/c1-15-7-3-5-6(4-8(7)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3
InChIKey
VVCAIBZWJDJGJQ-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-6,7-dimethoxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No patent data available for this compound.