CID 499369

Nsc672972

Structural Information

Molecular Formula
C26H47N5O10P2
SMILES
CCCCCCCCCCCCCCCCOP(=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/C26H47N5O10P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-38-42(34,35)41-43(36,37)39-17-20-22(32)23(33)26(40-20)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
UHECKZVSZZZLIN-HUBRGWSESA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hexadecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

651.27985 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.28713 251.7
[M+Na]+ 674.26907 248.4
[M-H]- 650.27257 246.3
[M+NH4]+ 669.31367 246.9
[M+K]+ 690.24301 249.4
[M+H-H2O]+ 634.27711 237.6
[M+HCOO]- 696.27805 267.3
[M+CH3COO]- 710.29370 262.9
[M+Na-2H]- 672.25452 238.1
[M]+ 651.27930 259.7
[M]- 651.28040 259.7
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.