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

678
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

literature stripe

Patent stripe

patents stripe