CID 495625

Nsc663418

Structural Information

Molecular Formula
C22H22N5O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCC(=O)C3=CC=CO3)OCC(=O)C4=CC=CO4)N=[N+]=[N-]
InChI
InChI=1S/C22H22N5O11P/c1-13-9-27(22(31)24-21(13)30)20-8-14(25-26-23)19(38-20)12-37-39(32,35-10-15(28)17-4-2-6-33-17)36-11-16(29)18-5-3-7-34-18/h2-7,9,14,19-20H,8,10-12H2,1H3,(H,24,30,31)/t14-,19+,20+/m0/s1
InChIKey
PAKYBPBCYBSULW-VHKYSDTDSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis[2-(furan-2-yl)-2-oxoethyl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.10535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.11263 218.7
[M+Na]+ 586.09457 219.4
[M-H]- 562.09807 232.6
[M+NH4]+ 581.13917 219.1
[M+K]+ 602.06851 218.7
[M+H-H2O]+ 546.10261 212.5
[M+HCOO]- 608.10355 245.9
[M+CH3COO]- 622.11920 246.5
[M+Na-2H]- 584.08002 222.4
[M]+ 563.10480 225.0
[M]- 563.10590 225.0
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.