CID 67762

2',3'-o-isopropylidene adenosine

Structural Information

Molecular Formula
C13H17N5O4
SMILES
CC1(O[C@H]2[C@@H](O[C@@H](C2O1)CO)N3C=NC4=C(N=CN=C43)N)C
InChI
InChI=1S/C13H17N5O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)/t6-,8?,9-,12-/m1/s1
InChIKey
LCCLUOXEZAHUNS-ITDQULNMSA-N
Compound name
[(3aR,4R,6R)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

198
Patents

307.12805 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13533 166.8
[M+Na]+ 330.11727 178.0
[M-H]- 306.12077 172.3
[M+NH4]+ 325.16187 180.9
[M+K]+ 346.09121 177.6
[M+H-H2O]+ 290.12531 160.9
[M+HCOO]- 352.12625 181.9
[M+CH3COO]- 366.14190 178.5
[M+Na-2H]- 328.10272 168.0
[M]+ 307.12750 171.4
[M]- 307.12860 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.