CID 446561

Hydantocidin-5'-phosphate

Structural Information

Molecular Formula
C7H11N2O9P
SMILES
C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O
InChI
InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1
InChIKey
HVXIMXHBUJADCC-GTBMBKLPSA-N
Compound name
[(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]nonan-7-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

298.0202 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02748 157.3
[M+Na]+ 321.00942 163.1
[M-H]- 297.01292 152.5
[M+NH4]+ 316.05402 170.1
[M+K]+ 336.98336 162.5
[M+H-H2O]+ 281.01746 151.7
[M+HCOO]- 343.01840 172.1
[M+CH3COO]- 357.03405 185.0
[M+Na-2H]- 318.99487 157.6
[M]+ 298.01965 154.1
[M]- 298.02075 154.1
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

patents stripe