CID 461269

Myr-d4tmp

Structural Information

Molecular Formula
C24H39N2O8P
SMILES
CCCCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C24H39N2O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(27)34-35(30,31)32-18-20-15-16-21(33-20)26-17-19(2)23(28)25-24(26)29/h15-17,20-21H,3-14,18H2,1-2H3,(H,30,31)(H,25,28,29)/t20-,21+/m0/s1
InChIKey
ILKQKIGEUWNLRJ-LEWJYISDSA-N
Compound name
[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2444 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.25168 225.0
[M+Na]+ 537.23362 227.1
[M-H]- 513.23712 224.7
[M+NH4]+ 532.27822 227.8
[M+K]+ 553.20756 224.9
[M+H-H2O]+ 497.24166 213.1
[M+HCOO]- 559.24260 243.0
[M+CH3COO]- 573.25825 238.9
[M+Na-2H]- 535.21907 219.2
[M]+ 514.24385 234.1
[M]- 514.24495 234.1
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.