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]+ 242.065916 147.3
[M+Na]+ 264.047858 157.2
[M-H]- 240.051364 149.4
[M+NH4]+ 259.092463 162.5
[M+K]+ 280.021798 156.7
[M+H-H2O]+ 224.055900 140.9
[M+HCOO]- 286.056841 164.5
[M+CH3COO]- 300.072491 188.5
[M+Na-2H]- 262.033306 153.0
[M]+ 241.05809142 151.0
[M]- 241.05918858 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.