CID 135485013

Nsc694774

Structural Information

Molecular Formula
C10H12N4O5
SMILES
COC1=NC2=NC=C(N=C2C(=O)N1)C(C(CO)O)O
InChI
InChI=1S/C10H12N4O5/c1-19-10-13-8-6(9(18)14-10)12-4(2-11-8)7(17)5(16)3-15/h2,5,7,15-17H,3H2,1H3,(H,11,13,14,18)
InChIKey
AAOZUWHSFXUIFV-UHFFFAOYSA-N
Compound name
2-methoxy-6-(1,2,3-trihydroxypropyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08078 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 158.0
[M+Na]+ 291.07000 166.5
[M-H]- 267.07350 152.7
[M+NH4]+ 286.11460 167.3
[M+K]+ 307.04394 162.8
[M+H-H2O]+ 251.07804 149.9
[M+HCOO]- 313.07898 169.8
[M+CH3COO]- 327.09463 189.1
[M+Na-2H]- 289.05545 162.8
[M]+ 268.08023 158.1
[M]- 268.08133 158.1
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.