CID 454682

N,n'-di(meocoet)(nh)2po2 azt

Structural Information

Molecular Formula
C18H28N7O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)N[C@@H](C)C(=O)OC)N=[N+]=[N-]
InChI
InChI=1S/C18H28N7O9P/c1-9-7-25(18(29)20-15(9)26)14-6-12(21-24-19)13(34-14)8-33-35(30,22-10(2)16(27)31-4)23-11(3)17(28)32-5/h7,10-14H,6,8H2,1-5H3,(H,20,26,29)(H2,22,23,30)/t10-,11-,12-,13+,14+/m0/s1
InChIKey
HFLWBXHEXLYQFB-QSLWVIQJSA-N
Compound name
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.16864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.17592 208.2
[M+Na]+ 540.15786 245.5
[M-H]- 516.16136 242.0
[M+NH4]+ 535.20246 238.9
[M+K]+ 556.13180 206.0
[M+H-H2O]+ 500.16590 200.6
[M+HCOO]- 562.16684 245.6
[M+CH3COO]- 576.18249 247.9
[M+Na-2H]- 538.14331 211.6
[M]+ 517.16809 214.5
[M]- 517.16919 214.5
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.