CID 135618590

Hydroxysepiapterin

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1C(=NC2=C(N1)N=C(NC2=O)N)C(=O)[C@H](CO)O
InChI
InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,15-16H,1-2H2,(H4,10,11,13,14,18)/t4-/m0/s1
InChIKey
QHNIUIKIRXYAAW-BYPYZUCNSA-N
Compound name
2-amino-6-[(2S)-2,3-dihydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

253.0811 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 153.9
[M+Na]+ 276.07032 162.7
[M+NH4]+ 271.11492 156.7
[M+K]+ 292.04426 161.6
[M-H]- 252.07382 150.2
[M+Na-2H]- 274.05577 154.7
[M]+ 253.08055 153.3
[M]- 253.08165 153.3
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

patents stripe