CID 452710

134250-28-5

Structural Information

Molecular Formula
C18H29N6O8P
SMILES
CCOP(=O)(NCCCCC(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C18H29N6O8P/c1-4-30-33(28,20-8-6-5-7-16(25)29-3)31-11-14-13(22-23-19)9-15(32-14)24-10-12(2)17(26)21-18(24)27/h10,13-15H,4-9,11H2,1-3H3,(H,20,28)(H,21,26,27)/t13-,14+,15+,33?/m0/s1
InChIKey
OTXHCJAMPYCYNJ-SFBRXVQLSA-N
Compound name
methyl 5-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.17844 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18572 207.0
[M+Na]+ 511.16766 208.7
[M-H]- 487.17116 211.9
[M+NH4]+ 506.21226 233.4
[M+K]+ 527.14160 204.2
[M+H-H2O]+ 471.17570 198.9
[M+HCOO]- 533.17664 253.2
[M+CH3COO]- 547.19229 239.7
[M+Na-2H]- 509.15311 211.6
[M]+ 488.17789 210.9
[M]- 488.17899 210.9
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.