CID 131637681

1772607-47-2

Structural Information

Molecular Formula
C14H26N3O12P2
SMILES
C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI
InChI=1S/C14H25N3O12P2/c1-17(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)16-5-4-10(18)15-14(16)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H2-,15,18,21,22,23,24,25)/p+1/t9-,11-,12-,13-/m1/s1
InChIKey
HLGXKBPFICLHPF-OJAKKHQRSA-O
Compound name
2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.09918 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10646 196.9
[M+Na]+ 513.08840 198.6
[M-H]- 489.09190 194.0
[M+NH4]+ 508.13300 190.2
[M+K]+ 529.06234 196.2
[M+H-H2O]+ 473.09644 188.2
[M+HCOO]- 535.09738 217.8
[M+CH3COO]- 549.11303 222.1
[M+Na-2H]- 511.07385 204.6
[M]+ 490.09863 182.6
[M]- 490.09973 182.6
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.