CID 157010246

M7g(5')pppam

Structural Information

Molecular Formula
C22H32N10O17P3
SMILES
CN1C=[N+](C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)OC)O)O)O
InChI
InChI=1S/C22H31N10O17P3/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)20-14(35)12(33)8(46-20)3-44-50(37,38)48-52(41,42)49-51(39,40)45-4-9-13(34)15(43-2)21(47-9)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H7-,23,24,25,26,28,29,36,37,38,39,40,41,42)/p+1
InChIKey
UFVBPMPLSKDIFV-UHFFFAOYSA-O
Compound name
[[5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

801.11597 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 802.12325 242.1
[M+Na]+ 824.10519 249.8
[M-H]- 800.10869 234.7
[M+NH4]+ 819.14979 243.0
[M+K]+ 840.07913 248.1
[M+H-H2O]+ 784.11323 230.5
[M+HCOO]- 846.11417 244.3
[M+CH3COO]- 860.12982 247.8
[M+Na-2H]- 822.09064 228.0
[M]+ 801.11542 249.7
[M]- 801.11652 249.7
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.