CID 5271269

N^4-hydroxy-mmdcyd

Structural Information

Molecular Formula
C12H19N3O5
SMILES
COCC1=CN(C(=O)N=C1NO)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C12H19N3O5/c1-20-6-8-4-15(12(18)13-11(8)14-19)9-2-7(5-16)10(17)3-9/h4,7,9-10,16-17,19H,2-3,5-6H2,1H3,(H,13,14,18)/t7-,9-,10+/m1/s1
InChIKey
GZBHBYNRDNEEID-QNSHHTMESA-N
Compound name
4-(hydroxyamino)-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.13248 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 162.2
[M+Na]+ 308.12170 169.4
[M-H]- 284.12520 163.0
[M+NH4]+ 303.16630 175.1
[M+K]+ 324.09564 166.1
[M+H-H2O]+ 268.12974 154.6
[M+HCOO]- 330.13068 180.1
[M+CH3COO]- 344.14633 196.0
[M+Na-2H]- 306.10715 162.8
[M]+ 285.13193 161.7
[M]- 285.13303 161.7
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

No patent data available for this compound.