CID 372518

Nsc647648

Structural Information

Molecular Formula
C11H16N2O6
SMILES
CC1(C(N(C(=O)NC1=O)C2C=CC(O2)CO)O)OC
InChI
InChI=1S/C11H16N2O6/c1-11(18-2)8(15)12-10(17)13(9(11)16)7-4-3-6(5-14)19-7/h3-4,6-7,9,14,16H,5H2,1-2H3,(H,12,15,17)
InChIKey
WRIPZLKIGXVWAC-UHFFFAOYSA-N
Compound name
6-hydroxy-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10083 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 157.6
[M+Na]+ 295.09005 165.4
[M-H]- 271.09355 158.7
[M+NH4]+ 290.13465 171.8
[M+K]+ 311.06399 163.9
[M+H-H2O]+ 255.09809 151.8
[M+HCOO]- 317.09903 171.3
[M+CH3COO]- 331.11468 189.7
[M+Na-2H]- 293.07550 158.6
[M]+ 272.10028 156.5
[M]- 272.10138 156.5
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

No patent data available for this compound.