CID 374123

Nsc651430

Structural Information

Molecular Formula
C10H13BrN2O5
SMILES
CC1(C(N(C(=O)NC1=O)C2C=CC(O2)CO)O)Br
InChI
InChI=1S/C10H13BrN2O5/c1-10(11)7(15)12-9(17)13(8(10)16)6-3-2-5(4-14)18-6/h2-3,5-6,8,14,16H,4H2,1H3,(H,12,15,17)
InChIKey
PMZVXBDNXMLJJK-UHFFFAOYSA-N
Compound name
5-bromo-6-hydroxy-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0008 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00808 159.7
[M+Na]+ 342.99002 170.7
[M-H]- 318.99352 163.5
[M+NH4]+ 338.03462 175.8
[M+K]+ 358.96396 160.1
[M+H-H2O]+ 302.99806 160.0
[M+HCOO]- 364.99900 171.6
[M+CH3COO]- 379.01465 194.1
[M+Na-2H]- 340.97547 162.1
[M]+ 320.00025 175.6
[M]- 320.00135 175.6
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.