CID 475836

Ct 7626

Structural Information

Molecular Formula
C18H28N5O13P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)OCCO)O)O)O)N=[N+]=[N-]
InChI
InChI=1S/C18H28N5O13P/c1-8-5-23(18(29)20-16(8)28)12-4-9(21-22-19)10(35-12)6-33-37(30,31)34-7-11-13(25)14(26)15(27)17(36-11)32-3-2-24/h5,9-15,17,24-27H,2-4,6-7H2,1H3,(H,30,31)(H,20,28,29)/t9-,10+,11+,12+,13+,14-,15-,17+/m0/s1
InChIKey
KCMKRRLCPULYRR-WGMNQGHUSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(2-hydroxyethoxy)oxan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.14215 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.14943 220.5
[M+Na]+ 576.13137 222.1
[M-H]- 552.13487 216.1
[M+NH4]+ 571.17597 221.5
[M+K]+ 592.10531 221.8
[M+H-H2O]+ 536.13941 210.2
[M+HCOO]- 598.14035 223.6
[M+CH3COO]- 612.15600 241.8
[M+Na-2H]- 574.11682 242.2
[M]+ 553.14160 232.8
[M]- 553.14270 232.8
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.