CID 477299

(s)-2'-azidomethyl-pmec

Structural Information

Molecular Formula
C8H13N6O5P
SMILES
C1=CN(C(=O)N=C1N)C[C@H](CN=[N+]=[N-])OCP(=O)(O)O
InChI
InChI=1S/C8H13N6O5P/c9-7-1-2-14(8(15)12-7)4-6(3-11-13-10)19-5-20(16,17)18/h1-2,6H,3-5H2,(H2,9,12,15)(H2,16,17,18)/t6-/m0/s1
InChIKey
DHFNRQOQKDSIIP-LURJTMIESA-N
Compound name
[(2R)-1-(4-amino-2-oxopyrimidin-1-yl)-3-azidopropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0685 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07578 157.2
[M+Na]+ 327.05772 162.5
[M-H]- 303.06122 157.4
[M+NH4]+ 322.10232 167.9
[M+K]+ 343.03166 156.8
[M+H-H2O]+ 287.06576 151.1
[M+HCOO]- 349.06670 187.4
[M+CH3COO]- 363.08235 201.6
[M+Na-2H]- 325.04317 165.8
[M]+ 304.06795 155.8
[M]- 304.06905 155.8
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.