CID 155289488

Nonanoyl-amp

Structural Information

Molecular Formula
C19H30N5O8P
SMILES
CCCCCCCCC(=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/C19H30N5O8P/c1-2-3-4-5-6-7-8-13(25)32-33(28,29)30-9-12-15(26)16(27)19(31-12)24-11-23-14-17(20)21-10-22-18(14)24/h10-12,15-16,19,26-27H,2-9H2,1H3,(H,28,29)(H2,20,21,22)/t12-,15-,16-,19-/m1/s1
InChIKey
ACFJGALADOEHQX-BGIGGGFGSA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.1832 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.19048 211.2
[M+Na]+ 510.17242 215.4
[M+NH4]+ 505.21702 210.3
[M+K]+ 526.14636 220.2
[M-H]- 486.17592 207.8
[M+Na-2H]- 508.15787 207.7
[M]+ 487.18265 209.8
[M]- 487.18375 209.8
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.