CID 157049285

6-o-adenylylstreptidine

Structural Information

Molecular Formula
C18H30N11O10P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H]([C@@H]4O)O)N=C(N)N)O)N=C(N)N)O)O)N
InChI
InChI=1S/C18H30N11O10P/c19-14-7-15(25-2-24-14)29(3-26-7)16-12(34)8(30)4(38-16)1-37-40(35,36)39-13-6(28-18(22)23)9(31)5(27-17(20)21)10(32)11(13)33/h2-6,8-13,16,30-34H,1H2,(H,35,36)(H2,19,24,25)(H4,20,21,27)(H4,22,23,28)/t4-,5+,6-,8-,9+,10-,11+,12-,13+,16-/m1/s1
InChIKey
HNYZZTVCUNXAIP-BKCFTUSJSA-N
Compound name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(1S,2R,3S,4S,5R,6S)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.19147 Da
Monoisotopic Mass

-8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.19875 225.5
[M+Na]+ 614.18069 230.9
[M+NH4]+ 609.22529 229.4
[M+K]+ 630.15463 226.9
[M-H]- 590.18419 222.7
[M+Na-2H]- 612.16614 231.9
[M]+ 591.19092 227.5
[M]- 591.19202 227.5
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.