CID 452779

2'-morpholino-da

Structural Information

Molecular Formula
C14H20N6O4
SMILES
C1COCCN1[C@@H]2[C@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO)O
InChI
InChI=1S/C14H20N6O4/c15-12-9-13(17-6-16-12)20(7-18-9)14-10(11(22)8(5-21)24-14)19-1-3-23-4-2-19/h6-8,10-11,14,21-22H,1-5H2,(H2,15,16,17)/t8-,10-,11+,14-/m1/s1
InChIKey
RMSRBWKOCGUIKO-GCDPNZCJSA-N
Compound name
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1546 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16188 177.2
[M+Na]+ 359.14382 184.5
[M-H]- 335.14732 180.5
[M+NH4]+ 354.18842 183.8
[M+K]+ 375.11776 181.8
[M+H-H2O]+ 319.15186 167.4
[M+HCOO]- 381.15280 187.9
[M+CH3COO]- 395.16845 185.5
[M+Na-2H]- 357.12927 176.0
[M]+ 336.15405 174.9
[M]- 336.15515 174.9
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.