CID 5274130

Stazdutp

Structural Information

Molecular Formula
C17H20N5O13P3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C3=CC=CC=C3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
InChI
InChI=1S/C17H20N5O13P3/c18-21-20-13-8-15(33-14(13)10-32-37(28,29)35-38(30,31)34-36(25,26)27)22-9-12(16(23)19-17(22)24)7-6-11-4-2-1-3-5-11/h1-7,9,13-15H,8,10H2,(H,28,29)(H,30,31)(H,19,23,24)(H2,25,26,27)/b7-6+/t13-,14+,15+/m0/s1
InChIKey
OCHIDXZRVWXMPD-XIKIYNFVSA-N
Compound name
[[(2S,3S,5R)-3-azido-5-[2,4-dioxo-5-[(E)-2-phenylethenyl]pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

595.02704 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.03432 208.7
[M+Na]+ 618.01626 214.6
[M-H]- 594.01976 209.4
[M+NH4]+ 613.06086 211.5
[M+K]+ 633.99020 209.4
[M+H-H2O]+ 578.02430 195.4
[M+HCOO]- 640.02524 214.0
[M+CH3COO]- 654.04089 242.9
[M+Na-2H]- 616.00171 224.6
[M]+ 595.02649 219.9
[M]- 595.02759 219.9
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.