CID 512310

Chembl326306

Structural Information

Molecular Formula
C11H22N4O5P
SMILES
C[N+](C)(C)CC(CN1C=CC(=NC1=O)N)OCP(=O)(O)O
InChI
InChI=1S/C11H21N4O5P/c1-15(2,3)7-9(20-8-21(17,18)19)6-14-5-4-10(12)13-11(14)16/h4-5,9H,6-8H2,1-3H3,(H3-,12,13,16,17,18,19)/p+1
InChIKey
AGTYBYJNORXZIU-UHFFFAOYSA-O
Compound name
[3-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonomethoxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.13278 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14006 169.4
[M+Na]+ 344.12200 174.9
[M-H]- 320.12550 168.2
[M+NH4]+ 339.16660 180.0
[M+K]+ 360.09594 168.5
[M+H-H2O]+ 304.13004 162.6
[M+HCOO]- 366.13098 192.3
[M+CH3COO]- 380.14663 201.9
[M+Na-2H]- 342.10745 175.8
[M]+ 321.13223 170.4
[M]- 321.13333 170.4
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.