CID 513603

Hpmpphc

Structural Information

Molecular Formula
C14H18N3O6P
SMILES
C1=CC=C(C=C1)C2=CN(C(=O)N=C2N)CC(CO)OCP(=O)(O)O
InChI
InChI=1S/C14H18N3O6P/c15-13-12(10-4-2-1-3-5-10)7-17(14(19)16-13)6-11(8-18)23-9-24(20,21)22/h1-5,7,11,18H,6,8-9H2,(H2,15,16,19)(H2,20,21,22)
InChIKey
DYORBYNPHFZVHW-UHFFFAOYSA-N
Compound name
[1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09332 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10060 180.0
[M+Na]+ 378.08254 185.5
[M-H]- 354.08604 178.8
[M+NH4]+ 373.12714 187.5
[M+K]+ 394.05648 182.6
[M+H-H2O]+ 338.09058 168.7
[M+HCOO]- 400.09152 201.2
[M+CH3COO]- 414.10717 208.4
[M+Na-2H]- 376.06799 180.4
[M]+ 355.09277 180.5
[M]- 355.09387 180.5
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.