CID 452206

5'-phosphonomethylene-3'-azdt

Structural Information

Molecular Formula
C11H16N5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCP(=O)(O)O)N=[N+]=[N-]
InChI
InChI=1S/C11H16N5O7P/c1-6-3-16(11(18)13-10(6)17)9-2-7(14-15-12)8(23-9)4-22-5-24(19,20)21/h3,7-9H,2,4-5H2,1H3,(H,13,17,18)(H2,19,20,21)/t7-,8+,9+/m0/s1
InChIKey
NOEYTKCEXDEMEO-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

361.07874 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08602 173.0
[M+Na]+ 384.06796 178.5
[M-H]- 360.07146 176.4
[M+NH4]+ 379.11256 181.7
[M+K]+ 400.04190 172.7
[M+H-H2O]+ 344.07600 167.0
[M+HCOO]- 406.07694 199.8
[M+CH3COO]- 420.09259 207.4
[M+Na-2H]- 382.05341 179.5
[M]+ 361.07819 172.0
[M]- 361.07929 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe