CID 10151043

71229-83-9

Structural Information

Molecular Formula
C9H14N2O13P2
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C9H14N2O13P2/c12-2-4-5(13)6(14)8(22-4)11-1-3(7(15)10-9(11)16)23-26(20,21)24-25(17,18)19/h1,4-6,8,12-14H,2H2,(H,20,21)(H,10,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
InChIKey
BFCGPYPBXBAJMH-UAKXSSHOSA-N
Compound name
[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

419.9971 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.00438 180.7
[M+Na]+ 442.98632 182.8
[M+NH4]+ 438.03092 177.1
[M+K]+ 458.96026 191.5
[M-H]- 418.98982 172.8
[M+Na-2H]- 440.97177 175.2
[M]+ 419.99655 177.3
[M]- 419.99765 177.3
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