CID 154573741

Decanoyl-amp

Structural Information

Molecular Formula
C20H32N5O8P
SMILES
CCCCCCCCCC(=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/C20H32N5O8P/c1-2-3-4-5-6-7-8-9-14(26)33-34(29,30)31-10-13-16(27)17(28)20(32-13)25-12-24-15-18(21)22-11-23-19(15)25/h11-13,16-17,20,27-28H,2-10H2,1H3,(H,29,30)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1
InChIKey
ZLACHMRUYPYEFG-AEVYOOLXSA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.19885 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.20613 215.6
[M+Na]+ 524.18807 218.2
[M-H]- 500.19157 213.8
[M+NH4]+ 519.23267 217.8
[M+K]+ 540.16201 217.6
[M+H-H2O]+ 484.19611 204.5
[M+HCOO]- 546.19705 231.0
[M+CH3COO]- 560.21270 236.5
[M+Na-2H]- 522.17352 211.0
[M]+ 501.19830 221.5
[M]- 501.19940 221.5
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.