CID 3006429

Bdbm50131914

Structural Information

Molecular Formula
C11H18N3O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)CN
InChI
InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9-/m1/s1
InChIKey
PUVBLTZKPNZGIZ-IWSPIJDZSA-N
Compound name
[(2S,3R,5R)-3-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

335.08823 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09551 172.4
[M+Na]+ 358.07745 179.1
[M-H]- 334.08095 172.3
[M+NH4]+ 353.12205 181.6
[M+K]+ 374.05139 177.7
[M+H-H2O]+ 318.08549 162.8
[M+HCOO]- 380.08643 192.8
[M+CH3COO]- 394.10208 203.8
[M+Na-2H]- 356.06290 171.1
[M]+ 335.08768 172.5
[M]- 335.08878 172.5
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.