CID 513587

6-azauridine-5'-(ethyl methoxyalaninyl)phosphate

Structural Information

Molecular Formula
C14H23N4O10P
SMILES
CCOP(=O)(NC(C)C(=O)OC)OC[C@@H]1C(C([C@@H](O1)N2C(=O)NC(=O)C=N2)O)O
InChI
InChI=1S/C14H23N4O10P/c1-4-26-29(24,17-7(2)13(22)25-3)27-6-8-10(20)11(21)12(28-8)18-14(23)16-9(19)5-15-18/h5,7-8,10-12,20-21H,4,6H2,1-3H3,(H,17,24)(H,16,19,23)/t7?,8-,10?,11?,12-,29?/m1/s1
InChIKey
FEPUJTVNZXDSFM-SRDSKXETSA-N
Compound name
methyl 2-[[[(2R,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.11517 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.12245 190.8
[M+Na]+ 461.10439 194.5
[M-H]- 437.10789 189.8
[M+NH4]+ 456.14899 194.1
[M+K]+ 477.07833 196.1
[M+H-H2O]+ 421.11243 180.1
[M+HCOO]- 483.11337 208.2
[M+CH3COO]- 497.12902 224.1
[M+Na-2H]- 459.08984 188.6
[M]+ 438.11462 195.5
[M]- 438.11572 195.5
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.