CID 6482572

Tert-butyl n-[9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]purin-6-yl]oxycarbamate

Structural Information

Molecular Formula
C16H23N5O7
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3ONC(=O)OC(C)(C)C)CO)O)O
InChI
InChI=1S/C16H23N5O7/c1-15(2,3)27-14(24)20-28-12-9-11(17-6-18-12)21(7-19-9)13-16(4,25)10(23)8(5-22)26-13/h6-8,10,13,22-23,25H,5H2,1-4H3,(H,20,24)/t8-,10-,13-,16-/m1/s1
InChIKey
UEFLOFPVNITKOH-YZTUOPDFSA-N
Compound name
tert-butyl N-[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]oxycarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.15976 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16704 188.5
[M+Na]+ 420.14898 196.3
[M-H]- 396.15248 189.7
[M+NH4]+ 415.19358 197.6
[M+K]+ 436.12292 195.8
[M+H-H2O]+ 380.15702 181.9
[M+HCOO]- 442.15796 201.2
[M+CH3COO]- 456.17361 215.3
[M+Na-2H]- 418.13443 191.3
[M]+ 397.15921 194.1
[M]- 397.16031 194.1
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.