CID 461271

Myr-d4tdp

Structural Information

Molecular Formula
C24H40N2O11P2
SMILES
CCCCCCCCCCCCCC(=O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C24H40N2O11P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(27)36-39(32,33)37-38(30,31)34-18-20-15-16-21(35-20)26-17-19(2)23(28)25-24(26)29/h15-17,20-21H,3-14,18H2,1-2H3,(H,30,31)(H,32,33)(H,25,28,29)/t20-,21+/m0/s1
InChIKey
FATSQXTYBBEJBF-LEWJYISDSA-N
Compound name
[hydroxy-[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.21075 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.21803 216.4
[M+Na]+ 617.19997 225.7
[M-H]- 593.20347 218.1
[M+NH4]+ 612.24457 224.1
[M+K]+ 633.17391 213.2
[M+H-H2O]+ 577.20801 223.1
[M+HCOO]- 639.20895 243.0
[M+CH3COO]- 653.22460 250.2
[M+Na-2H]- 615.18542 232.3
[M]+ 594.21020 216.7
[M]- 594.21130 216.7
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.