CID 118796914

19-(4-hydroxyphenyl)nonadecanoyl-amp(1-)

Structural Information

Molecular Formula
C35H54N5O9P
SMILES
C1=CC(=CC=C1CCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O
InChI
InChI=1S/C35H54N5O9P/c36-33-30-34(38-24-37-33)40(25-39-30)35-32(44)31(43)28(48-35)23-47-50(45,46)49-29(42)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-26-19-21-27(41)22-20-26/h19-22,24-25,28,31-32,35,41,43-44H,1-18,23H2,(H,45,46)(H2,36,37,38)/t28-,31-,32-,35-/m1/s1
InChIKey
XXXMYDPTLCPNMO-CQFMLMEWSA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 19-(4-hydroxyphenyl)nonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

719.3659 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.37318 273.8
[M+Na]+ 742.35512 276.7
[M+NH4]+ 737.39972 270.4
[M+K]+ 758.32906 278.8
[M-H]- 718.35862 272.2
[M+Na-2H]- 740.34057 269.5
[M]+ 719.36535 272.7
[M]- 719.36645 272.7
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.