CID 155289484

Ic-asc-c7-amp

Structural Information

Molecular Formula
C32H41N6O13P
SMILES
C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCC(=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)OC(=O)C5=CNC6=CC=CC=C65
InChI
InChI=1S/C32H41N6O13P/c1-16(47-32-21(39)11-22(17(2)48-32)50-31(43)19-12-34-20-9-5-4-8-18(19)20)7-3-6-10-24(40)51-52(44,45)46-13-23-26(41)27(42)30(49-23)38-15-37-25-28(33)35-14-36-29(25)38/h4-5,8-9,12,14-17,21-23,26-27,30,32,34,39,41-42H,3,6-7,10-11,13H2,1-2H3,(H,44,45)(H2,33,35,36)/t16-,17+,21-,22-,23-,26-,27-,30-,32-/m1/s1
InChIKey
FSZCUKZJWUKCBV-MNMXCXDCSA-N
Compound name
[(2S,3R,5R,6R)-6-[(2R)-7-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-7-oxoheptan-2-yl]oxy-5-hydroxy-2-methyloxan-3-yl] 1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

748.24695 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.25423 245.3
[M+Na]+ 771.23617 249.7
[M-H]- 747.23967 240.8
[M+NH4]+ 766.28077 246.1
[M+K]+ 787.21011 248.5
[M+H-H2O]+ 731.24421 229.8
[M+HCOO]- 793.24515 247.4
[M+CH3COO]- 807.26080 251.0
[M+Na-2H]- 769.22162 242.9
[M]+ 748.24640 256.0
[M]- 748.24750 256.0
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.