CID 122873

Chpmpc

Structural Information

Molecular Formula
C8H12N3O5P
SMILES
C1[C@@H](OCP(=O)(O1)O)CN2C=CC(=NC2=O)N
InChI
InChI=1S/C8H12N3O5P/c9-7-1-2-11(8(12)10-7)3-6-4-16-17(13,14)5-15-6/h1-2,6H,3-5H2,(H,13,14)(H2,9,10,12)/t6-/m0/s1
InChIKey
YXQUGSXUDFTPLL-LURJTMIESA-N
Compound name
4-amino-1-[[(5S)-2-hydroxy-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

43
References

519
Patents

261.05145 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05873 155.0
[M+Na]+ 284.04067 165.5
[M+NH4]+ 279.08527 160.8
[M+K]+ 300.01461 161.3
[M-H]- 260.04417 157.8
[M+Na-2H]- 282.02612 159.4
[M]+ 261.05090 156.9
[M]- 261.05200 156.9
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