CID 495711

Nsc666554

Structural Information

Molecular Formula
C11H12N4O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC=C3C(=O)NC2=O)CO)O
InChI
InChI=1S/C11H12N4O5/c16-3-7-6(17)1-8(20-7)15-9-5(2-12-4-13-9)10(18)14-11(15)19/h2,4,6-8,16-17H,1,3H2,(H,14,18,19)/t6-,7+,8+/m0/s1
InChIKey
FGALUZPKLRVQOM-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimido[4,5-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08078 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08806 161.1
[M+Na]+ 303.07000 171.5
[M-H]- 279.07350 161.3
[M+NH4]+ 298.11460 171.2
[M+K]+ 319.04394 167.5
[M+H-H2O]+ 263.07804 152.6
[M+HCOO]- 325.07898 174.4
[M+CH3COO]- 339.09463 171.3
[M+Na-2H]- 301.05545 164.3
[M]+ 280.08023 160.8
[M]- 280.08133 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.