CID 135911932

7,8-dihydroneopterin 2',3'-cyclic phosphate

Structural Information

Molecular Formula
C9H12N5O6P
SMILES
C1[C@@H](OP(=O)(O1)O)[C@H](C2=NC3=C(NC2)N=C(NC3=O)N)O
InChI
InChI=1S/C9H12N5O6P/c10-9-13-7-5(8(16)14-9)12-3(1-11-7)6(15)4-2-19-21(17,18)20-4/h4,6,15H,1-2H2,(H,17,18)(H4,10,11,13,14,16)/t4-,6+/m1/s1
InChIKey
QXDMVWOCXHMTPE-XINAWCOVSA-N
Compound name
2-amino-6-[(S)-hydroxy-[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl]-7,8-dihydro-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.05252 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05980 169.3
[M+Na]+ 340.04174 176.4
[M-H]- 316.04524 166.9
[M+NH4]+ 335.08634 176.9
[M+K]+ 356.01568 175.0
[M+H-H2O]+ 300.04978 158.8
[M+HCOO]- 362.05072 183.7
[M+CH3COO]- 376.06637 197.9
[M+Na-2H]- 338.02719 169.2
[M]+ 317.05197 165.2
[M]- 317.05307 165.2
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.