CID 215493

Ribofuranuronamide, 1-(6-amino-9h-purin-9-yl)-1-deoxy-n-isopropyl-

Structural Information

Molecular Formula
C13H18N6O4
SMILES
CC(C)NC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C13H18N6O4/c1-5(2)18-12(22)9-7(20)8(21)13(23-9)19-4-17-6-10(14)15-3-16-11(6)19/h3-5,7-9,13,20-21H,1-2H3,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1
InChIKey
FKRVKZRCTXANDS-QRIDJOKKSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propan-2-yloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.13895 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.146226 173.4
[M+Na]+ 345.128168 181.4
[M-H]- 321.131674 175.5
[M+NH4]+ 340.172773 183.6
[M+K]+ 361.102108 179.2
[M+H-H2O]+ 305.136210 165.2
[M+HCOO]- 367.137151 189.2
[M+CH3COO]- 381.152801 208.8
[M+Na-2H]- 343.113616 172.8
[M]+ 322.13840142 173.6
[M]- 322.13949858 173.6
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

patents stripe