CID 475545

.alpha.,.beta.-propylene aztdp

Structural Information

Molecular Formula
C13H21N5O9P2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CCCP(=O)(O)O)O)N=[N+]=[N-]
InChI
InChI=1S/C13H21N5O9P2/c1-8-6-18(13(20)15-12(8)19)11-5-9(16-17-14)10(27-11)7-26-29(24,25)4-2-3-28(21,22)23/h6,9-11H,2-5,7H2,1H3,(H,24,25)(H,15,19,20)(H2,21,22,23)/t9-,10+,11+/m0/s1
InChIKey
DPYCUHBHVJJTTE-HBNTYKKESA-N
Compound name
3-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]propylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.08145 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.08873 190.9
[M+Na]+ 476.07067 193.3
[M-H]- 452.07417 191.8
[M+NH4]+ 471.11527 207.5
[M+K]+ 492.04461 188.7
[M+H-H2O]+ 436.07871 182.8
[M+HCOO]- 498.07965 233.9
[M+CH3COO]- 512.09530 222.3
[M+Na-2H]- 474.05612 198.2
[M]+ 453.08090 190.3
[M]- 453.08200 190.3
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.