CID 477301

(s)-2'-azidomethyl-pmet

Structural Information

Molecular Formula
C9H14N5O6P
SMILES
CC1=CN(C(=O)NC1=O)C[C@@H](CN=[N+]=[N-])OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O6P/c1-6-3-14(9(16)12-8(6)15)4-7(2-11-13-10)20-5-21(17,18)19/h3,7H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-/m1/s1
InChIKey
AIEVCSOJPBWALB-SSDOTTSWSA-N
Compound name
[(2S)-1-azido-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06818 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07546 161.9
[M+Na]+ 342.05740 168.2
[M-H]- 318.06090 161.5
[M+NH4]+ 337.10200 172.1
[M+K]+ 358.03134 161.7
[M+H-H2O]+ 302.06544 156.4
[M+HCOO]- 364.06638 190.3
[M+CH3COO]- 378.08203 200.1
[M+Na-2H]- 340.04285 169.6
[M]+ 319.06763 161.9
[M]- 319.06873 161.9
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.