CID 460607

C16pamp

Structural Information

Molecular Formula
C26H47N5O9P2
SMILES
CCCCCCCCCCCCCCCCP(=O)(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/C26H47N5O9P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-41(34,35)40-42(36,37)38-17-20-22(32)23(33)26(39-20)31-19-30-21-24(27)28-18-29-25(21)31/h18-20,22-23,26,32-33H,2-17H2,1H3,(H,34,35)(H,36,37)(H2,27,28,29)/t20-,22-,23-,26-/m1/s1
InChIKey
UTJVWFNCGPFDLZ-HUBRGWSESA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hexadecylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

635.2849 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.29218 252.1
[M+Na]+ 658.27412 249.3
[M-H]- 634.27762 246.7
[M+NH4]+ 653.31872 248.2
[M+K]+ 674.24806 249.3
[M+H-H2O]+ 618.28216 238.1
[M+HCOO]- 680.28310 267.6
[M+CH3COO]- 694.29875 260.7
[M+Na-2H]- 656.25957 245.8
[M]+ 635.28435 258.9
[M]- 635.28545 258.9
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.