CID 166765

Carbocyclic arabinosyladenine

Structural Information

Molecular Formula
C10H11N5O4
SMILES
C1=NC(=C2C(=N1)N3[C@H]4[C@H]([C@@H]([C@H](O4)CO)O)OC3=N2)N
InChI
InChI=1S/C10H11N5O4/c11-7-4-8(13-2-12-7)15-9-6(19-10(15)14-4)5(17)3(1-16)18-9/h2-3,5-6,9,16-17H,1H2,(H2,11,12,13)/t3-,5-,6+,9-/m1/s1
InChIKey
MQMVTEZRMYGLFD-FJFJXFQQSA-N
Compound name
(11S,12R,13R,15R)-6-amino-13-(hydroxymethyl)-10,14-dioxa-1,3,5,8-tetrazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

265.08112 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08840 154.0
[M+Na]+ 288.07034 165.9
[M-H]- 264.07384 155.8
[M+NH4]+ 283.11494 169.7
[M+K]+ 304.04428 164.4
[M+H-H2O]+ 248.07838 148.7
[M+HCOO]- 310.07932 169.5
[M+CH3COO]- 324.09497 166.1
[M+Na-2H]- 286.05579 156.6
[M]+ 265.08057 157.8
[M]- 265.08167 157.8
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.