CID 19236

3',5'-cyclic cmp(1-)

Structural Information

Molecular Formula
C9H12N3O7P
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O
InChI
InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
InChIKey
WCPTXJJVVDAEMW-XVFCMESISA-N
Compound name
1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

190
References

236
Patents

305.0413 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04858 163.8
[M+Na]+ 328.03052 172.6
[M+NH4]+ 323.07512 168.7
[M+K]+ 344.00446 172.4
[M-H]- 304.03402 166.7
[M+Na-2H]- 326.01597 164.1
[M]+ 305.04075 165.3
[M]- 305.04185 165.3
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