CID 6450908

5-(2-buten-1-yl)tubercidin

Structural Information

Molecular Formula
C15H20N4O4
SMILES
C/C=C/CC1=CN(C2=NC=NC(=C12)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C15H20N4O4/c1-2-3-4-8-5-19(14-10(8)13(16)17-7-18-14)15-12(22)11(21)9(6-20)23-15/h2-3,5,7,9,11-12,15,20-22H,4,6H2,1H3,(H2,16,17,18)/b3-2+/t9-,11-,12-,15-/m1/s1
InChIKey
QJEHCYLNRGMEMP-YEZPCYKBSA-N
Compound name
(2R,3R,4S,5R)-2-[4-amino-5-[(E)-but-2-enyl]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

320.14847 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15575 175.3
[M+Na]+ 343.13769 184.5
[M-H]- 319.14119 176.9
[M+NH4]+ 338.18229 187.1
[M+K]+ 359.11163 180.0
[M+H-H2O]+ 303.14573 168.0
[M+HCOO]- 365.14667 191.1
[M+CH3COO]- 379.16232 203.5
[M+Na-2H]- 341.12314 174.1
[M]+ 320.14792 176.2
[M]- 320.14902 176.2
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.