CID 5288870

Tetradecanoyl-amp(1-)

Structural Information

Molecular Formula
C24H40N5O8P
SMILES
CCCCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C24H40N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(30)37-38(33,34)35-14-17-20(31)21(32)24(36-17)29-16-28-19-22(25)26-15-27-23(19)29/h15-17,20-21,24,31-32H,2-14H2,1H3,(H,33,34)(H2,25,26,27)/t17-,20-,21-,24-/m1/s1
InChIKey
BAGJLYSFNJZQIG-FGSUIDRYSA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.2615 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.26878 232.3
[M+Na]+ 580.25072 233.0
[M-H]- 556.25422 229.8
[M+NH4]+ 575.29532 232.1
[M+K]+ 596.22466 231.8
[M+H-H2O]+ 540.25876 220.5
[M+HCOO]- 602.25970 246.3
[M+CH3COO]- 616.27535 247.7
[M+Na-2H]- 578.23617 226.0
[M]+ 557.26095 239.4
[M]- 557.26205 239.4
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.