CID 495624

Nsc663416

Structural Information

Molecular Formula
C16H22N5O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCC(=O)C)OCC(=O)C)N=[N+]=[N-]
InChI
InChI=1S/C16H22N5O9P/c1-9-5-21(16(25)18-15(9)24)14-4-12(19-20-17)13(30-14)8-29-31(26,27-6-10(2)22)28-7-11(3)23/h5,12-14H,4,6-8H2,1-3H3,(H,18,24,25)/t12-,13+,14+/m0/s1
InChIKey
RXGXVTXAVGJNNI-BFHYXJOUSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(2-oxopropyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1155 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.12278 195.2
[M+Na]+ 482.10472 198.6
[M-H]- 458.10822 200.7
[M+NH4]+ 477.14932 218.2
[M+K]+ 498.07866 194.9
[M+H-H2O]+ 442.11276 188.3
[M+HCOO]- 504.11370 235.4
[M+CH3COO]- 518.12935 231.2
[M+Na-2H]- 480.09017 199.5
[M]+ 459.11495 199.4
[M]- 459.11605 199.4
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.