CID 5742887

(3r,4s,5r)-2-[amino(methyl)[?]yl]-5-(hydroxymethyl)-2-methyl-tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C14H18N6O4
SMILES
CC1([C@@H]([C@@H]([C@H](O1)CO)O)O)N2C=C3C4=C2N=CN=C4N(N=C3N)C
InChI
InChI=1S/C14H18N6O4/c1-14(10(23)9(22)7(4-21)24-14)20-3-6-8-12(16-5-17-13(8)20)19(2)18-11(6)15/h3,5,7,9-10,21-23H,4H2,1-2H3,(H2,15,18)/t7-,9-,10-,14?/m1/s1
InChIKey
KDUMIIHWJKFTJP-FBFHGVSZSA-N
Compound name
(3R,4S,5R)-2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13895 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14623 177.9
[M+Na]+ 357.12817 189.4
[M-H]- 333.13167 178.2
[M+NH4]+ 352.17277 189.8
[M+K]+ 373.10211 185.3
[M+H-H2O]+ 317.13621 170.3
[M+HCOO]- 379.13715 189.5
[M+CH3COO]- 393.15280 187.4
[M+Na-2H]- 355.11362 179.3
[M]+ 334.13840 180.6
[M]- 334.13950 180.6
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.