CID 135398687

7,8-dihydrobiopterin

Structural Information

Molecular Formula
C9H13N5O3
SMILES
C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
InChI
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKey
FEMXZDUTFRTWPE-DZSWIPIPSA-N
Compound name
2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

143
References

585
Patents

239.10184 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10912 154.4
[M+Na]+ 262.09106 162.1
[M-H]- 238.09456 148.5
[M+NH4]+ 257.13566 164.5
[M+K]+ 278.06500 157.2
[M+H-H2O]+ 222.09910 146.8
[M+HCOO]- 284.10004 165.3
[M+CH3COO]- 298.11569 186.9
[M+Na-2H]- 260.07651 158.0
[M]+ 239.10129 148.5
[M]- 239.10239 148.5
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.