CID 512720

5-(1-methoxyethyl)tubercidin

Structural Information

Molecular Formula
C14H20N4O5
SMILES
CC(C1=CN(C2=NC=NC(=C12)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)OC
InChI
InChI=1S/C14H20N4O5/c1-6(22-2)7-3-18(13-9(7)12(15)16-5-17-13)14-11(21)10(20)8(4-19)23-14/h3,5-6,8,10-11,14,19-21H,4H2,1-2H3,(H2,15,16,17)/t6?,8-,10-,11-,14-/m1/s1
InChIKey
ZTVXTIFPOANESN-TWJZVJIDSA-N
Compound name
(2R,3R,4S,5R)-2-[4-amino-5-(1-methoxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.14337 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15065 173.6
[M+Na]+ 347.13259 182.2
[M-H]- 323.13609 175.5
[M+NH4]+ 342.17719 185.0
[M+K]+ 363.10653 179.8
[M+H-H2O]+ 307.14063 166.5
[M+HCOO]- 369.14157 188.7
[M+CH3COO]- 383.15722 205.3
[M+Na-2H]- 345.11804 172.1
[M]+ 324.14282 175.7
[M]- 324.14392 175.7
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.