CID 3081385

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

Structural Information

Molecular Formula
C9H11N2O8P
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O
InChI
InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1
InChIKey
NXIHNBWNDCFCGL-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]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

53
Patents

306.0253 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03258 161.6
[M+Na]+ 329.01452 171.0
[M+NH4]+ 324.05912 166.0
[M+K]+ 344.98846 170.9
[M-H]- 305.01802 163.2
[M+Na-2H]- 326.99997 161.6
[M]+ 306.02475 162.9
[M]- 306.02585 162.9
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