CID 6483633

[(2r,4r)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2-octadecoxyethyl hydrogen phosphate

Structural Information

Molecular Formula
C29H53N2O9P
SMILES
CCCCCCCCCCCCCCCCCCOCCOP(=O)(O)OC[C@@H]1OC[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C29H53N2O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-20-21-38-41(34,35)39-24-27-37-23-26(40-27)31-22-25(2)28(32)30-29(31)33/h22,26-27H,3-21,23-24H2,1-2H3,(H,34,35)(H,30,32,33)/t26-,27-/m1/s1
InChIKey
JGORGXSQAOFVJD-KAYWLYCHSA-N
Compound name
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2-octadecoxyethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

604.3489 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.35618 252.0
[M+Na]+ 627.33812 250.7
[M-H]- 603.34162 250.7
[M+NH4]+ 622.38272 233.2
[M+K]+ 643.31206 249.2
[M+H-H2O]+ 587.34616 238.9
[M+HCOO]- 649.34710 258.5
[M+CH3COO]- 663.36275 256.7
[M+Na-2H]- 625.32357 245.1
[M]+ 604.34835 264.7
[M]- 604.34945 264.7
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.