CID 5272921

O-cdv

Structural Information

Molecular Formula
C16H30N3O6P
SMILES
CCCCCCCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O
InChI
InChI=1S/C16H30N3O6P/c1-2-3-4-5-6-7-10-25-26(22,23)13-24-14(12-20)11-19-9-8-15(17)18-16(19)21/h8-9,14,20H,2-7,10-13H2,1H3,(H,22,23)(H2,17,18,21)/t14-/m0/s1
InChIKey
XGBDKOISMLYPQG-AWEZNQCLSA-N
Compound name
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-octoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.18723 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19451 194.5
[M+Na]+ 414.17645 197.7
[M-H]- 390.17995 190.1
[M+NH4]+ 409.22105 201.6
[M+K]+ 430.15039 195.4
[M+H-H2O]+ 374.18449 183.2
[M+HCOO]- 436.18543 215.3
[M+CH3COO]- 450.20108 218.9
[M+Na-2H]- 412.16190 192.7
[M]+ 391.18668 200.0
[M]- 391.18778 200.0
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.