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

0
Patents

253.0811 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.088376 155.5
[M+Na]+ 276.070318 163.1
[M-H]- 252.073824 149.6
[M+NH4]+ 271.114923 164.7
[M+K]+ 292.044258 158.3
[M+H-H2O]+ 236.078360 147.7
[M+HCOO]- 298.079301 166.7
[M+CH3COO]- 312.094951 188.5
[M+Na-2H]- 274.055766 159.2
[M]+ 253.08055142 150.2
[M]- 253.08164858 150.2
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.