CID 387286

Nsc680980

Structural Information

Molecular Formula
C23H20N4O6
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C4C(=N3)C(=O)NC(=O)N4C5C(C(C(O5)CO)O)O
InChI
InChI=1S/C23H20N4O6/c28-11-16-18(29)19(30)22(33-16)27-20-17(21(31)26-23(27)32)25-15(10-24-20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10,16,18-19,22,28-30H,11H2,(H,26,31,32)
InChIKey
ROBMVFWDYLGFQA-UHFFFAOYSA-N
Compound name
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-phenylphenyl)pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.13828 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14556 206.9
[M+Na]+ 471.12750 215.6
[M-H]- 447.13100 212.5
[M+NH4]+ 466.17210 208.5
[M+K]+ 487.10144 209.0
[M+H-H2O]+ 431.13554 195.3
[M+HCOO]- 493.13648 216.7
[M+CH3COO]- 507.15213 213.5
[M+Na-2H]- 469.11295 205.8
[M]+ 448.13773 206.1
[M]- 448.13883 206.1
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.