CID 232179

Adenosine, 2',3'-o-isopropylidene-

Structural Information

Molecular Formula
C13H17N5O4
SMILES
CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)CO)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)
InChIKey
LCCLUOXEZAHUNS-UHFFFAOYSA-N
Compound name
[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

19
References

425
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

patents stripe