CID 465209

Nsc663417

Structural Information

Molecular Formula
C26H26N5O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCC(=O)C3=CC=CC=C3)OCC(=O)C4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C26H26N5O9P/c1-17-13-31(26(35)28-25(17)34)24-12-20(29-30-27)23(40-24)16-39-41(36,37-14-21(32)18-8-4-2-5-9-18)38-15-22(33)19-10-6-3-7-11-19/h2-11,13,20,23-24H,12,14-16H2,1H3,(H,28,34,35)/t20-,23+,24+/m0/s1
InChIKey
VYHNYDNUTLWDQW-TUACAJSNSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl diphenacyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.1468 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.15408 227.0
[M+Na]+ 606.13602 226.5
[M-H]- 582.13952 237.6
[M+NH4]+ 601.18062 225.3
[M+K]+ 622.10996 221.5
[M+H-H2O]+ 566.14406 215.9
[M+HCOO]- 628.14500 251.8
[M+CH3COO]- 642.16065 253.2
[M+Na-2H]- 604.12147 230.3
[M]+ 583.14625 228.2
[M]- 583.14735 228.2
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.