CID 5272922

Dd-cdv

Structural Information

Molecular Formula
C20H38N3O6P
SMILES
CCCCCCCCCCCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O
InChI
InChI=1S/C20H38N3O6P/c1-2-3-4-5-6-7-8-9-10-11-14-29-30(26,27)17-28-18(16-24)15-23-13-12-19(21)22-20(23)25/h12-13,18,24H,2-11,14-17H2,1H3,(H,26,27)(H2,21,22,25)/t18-/m0/s1
InChIKey
CYSNVQAIUHNYAJ-SFHVURJKSA-N
Compound name
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-dodecoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.24982 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.25710 212.0
[M+Na]+ 470.23904 213.4
[M-H]- 446.24254 206.9
[M+NH4]+ 465.28364 216.8
[M+K]+ 486.21298 210.4
[M+H-H2O]+ 430.24708 199.9
[M+HCOO]- 492.24802 231.5
[M+CH3COO]- 506.26367 230.7
[M+Na-2H]- 468.22449 208.4
[M]+ 447.24927 219.0
[M]- 447.25037 219.0
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.