CID 592555

Dhboa-glc

Structural Information

Molecular Formula
C14H17NO9
SMILES
C1=CC2=C(C=C1O)OC(C(=O)N2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C14H17NO9/c16-4-8-9(18)10(19)11(20)13(23-8)24-14-12(21)15-6-2-1-5(17)3-7(6)22-14/h1-3,8-11,13-14,16-20H,4H2,(H,15,21)
InChIKey
VUFDXOACUHDTLI-UHFFFAOYSA-N
Compound name
7-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

343.09033 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09761 175.3
[M+Na]+ 366.07955 180.9
[M-H]- 342.08305 175.2
[M+NH4]+ 361.12415 181.5
[M+K]+ 382.05349 179.9
[M+H-H2O]+ 326.08759 167.8
[M+HCOO]- 388.08853 181.4
[M+CH3COO]- 402.10418 201.3
[M+Na-2H]- 364.06500 176.4
[M]+ 343.08978 172.7
[M]- 343.09088 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe