CID 135398608

Dihydroneopterin phosphate

Structural Information

Molecular Formula
C9H14N5O7P
SMILES
C1C(=NC2=C(N1)N=C(NC2=O)N)[C@@H]([C@@H](COP(=O)(O)O)O)O
InChI
InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1
InChIKey
PLSQMGZYOGSOCE-XINAWCOVSA-N
Compound name
[(2R,3S)-3-(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)-2,3-dihydroxypropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

61
Patents

335.06308 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07036 170.4
[M+Na]+ 358.05230 175.2
[M+NH4]+ 353.09690 170.0
[M+K]+ 374.02624 178.1
[M-H]- 334.05580 163.3
[M+Na-2H]- 356.03775 167.8
[M]+ 335.06253 167.9
[M]- 335.06363 167.9
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

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