CID 135451578

Pterin-6-yl-methyl-monophosphate

Structural Information

Molecular Formula
C7H8N5O5P
SMILES
C1=C(N=C2C(=O)NC(=NC2=N1)N)COP(=O)(O)O
InChI
InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)
InChIKey
AJXFJEHKGGCFNM-UHFFFAOYSA-N
Compound name
(2-amino-4-oxo-3H-pteridin-6-yl)methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

273.0263 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03358 158.7
[M+Na]+ 296.01552 167.8
[M-H]- 272.01902 153.4
[M+NH4]+ 291.06012 168.3
[M+K]+ 311.98946 164.5
[M+H-H2O]+ 256.02356 148.4
[M+HCOO]- 318.02450 178.6
[M+CH3COO]- 332.04015 192.0
[M+Na-2H]- 294.00097 164.0
[M]+ 273.02575 158.3
[M]- 273.02685 158.3
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