CID 5742891

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

Structural Information

Molecular Formula
C15H20N6O5
SMILES
CC1([C@@H]([C@@H]([C@H](O1)CO)O)O)N2C=C3C4=C2N=CN=C4N(N=C3N)CCO
InChI
InChI=1S/C15H20N6O5/c1-15(11(25)10(24)8(5-23)26-15)20-4-7-9-13(20)17-6-18-14(9)21(2-3-22)19-12(7)16/h4,6,8,10-11,22-25H,2-3,5H2,1H3,(H2,16,19)/t8-,10-,11-,15?/m1/s1
InChIKey
BTDRAAORHMXMET-LUPRYYEXSA-N
Compound name
(3R,4S,5R)-2-[5-amino-7-(2-hydroxyethyl)-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

364.1495 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15678 184.1
[M+Na]+ 387.13872 194.3
[M-H]- 363.14222 183.0
[M+NH4]+ 382.18332 193.9
[M+K]+ 403.11266 190.2
[M+H-H2O]+ 347.14676 176.6
[M+HCOO]- 409.14770 194.0
[M+CH3COO]- 423.16335 192.4
[M+Na-2H]- 385.12417 185.1
[M]+ 364.14895 186.9
[M]- 364.15005 186.9
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

No patent data available for this compound.