CID 163189055

(s)-xanthopterin-b2

Structural Information

Molecular Formula
C9H10N4O4
SMILES
C[C@@H](C(=O)C1=NC2=C(NC1)NC(=O)NC2=O)O
InChI
InChI=1S/C9H10N4O4/c1-3(14)6(15)4-2-10-7-5(11-4)8(16)13-9(17)12-7/h3,14H,2H2,1H3,(H3,10,12,13,16,17)/t3-/m0/s1
InChIKey
PINNBMAOEJRIQL-VKHMYHEASA-N
Compound name
6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-1H-pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0702 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.077476 151.4
[M+Na]+ 261.059418 160.3
[M-H]- 237.062924 145.9
[M+NH4]+ 256.104023 161.8
[M+K]+ 277.033358 155.0
[M+H-H2O]+ 221.067460 143.9
[M+HCOO]- 283.068401 162.3
[M+CH3COO]- 297.084051 182.8
[M+Na-2H]- 259.044866 155.5
[M]+ 238.06965142 147.0
[M]- 238.07074858 147.0
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

No patent data available for this compound.