CID 462073

Mdl 73811

Structural Information

Molecular Formula
C15H23N7O3
SMILES
CN(CC=CCN)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C15H23N7O3/c1-21(5-3-2-4-16)6-9-11(23)12(24)15(25-9)22-8-20-10-13(17)18-7-19-14(10)22/h2-3,7-9,11-12,15,23-24H,4-6,16H2,1H3,(H2,17,18,19)
InChIKey
YWJCZGDVJQLZET-UHFFFAOYSA-N
Compound name
2-[[4-aminobut-2-enyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

116
Patents

349.18625 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19353 181.4
[M+Na]+ 372.17547 188.7
[M+NH4]+ 367.22007 184.7
[M+K]+ 388.14941 190.3
[M-H]- 348.17897 183.0
[M+Na-2H]- 370.16092 182.1
[M]+ 349.18570 182.1
[M]- 349.18680 182.1
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