CID 371473

Nsc666988

Structural Information

Molecular Formula
C11H14N4O5
SMILES
CN1C(=O)C2=NC=C(N=C2N=C1OC)C(C(CO)O)O
InChI
InChI=1S/C11H14N4O5/c1-15-10(19)7-9(14-11(15)20-2)13-5(3-12-7)8(18)6(17)4-16/h3,6,8,16-18H,4H2,1-2H3
InChIKey
ZMKXNUAQSJMCTP-UHFFFAOYSA-N
Compound name
2-methoxy-3-methyl-7-(1,2,3-trihydroxypropyl)pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0964 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 162.5
[M+Na]+ 305.08562 171.9
[M-H]- 281.08912 158.8
[M+NH4]+ 300.13022 172.2
[M+K]+ 321.05956 168.8
[M+H-H2O]+ 265.09366 154.3
[M+HCOO]- 327.09460 175.4
[M+CH3COO]- 341.11025 195.5
[M+Na-2H]- 303.07107 166.5
[M]+ 282.09585 165.2
[M]- 282.09695 165.2
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.