CID 3008127

87970-06-7

Structural Information

Molecular Formula
C14H19N5O5
SMILES
CCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI
InChI=1S/C14H19N5O5/c1-2-3-8(21)24-11-10(22)7(4-20)23-14(11)19-6-18-9-12(15)16-5-17-13(9)19/h5-7,10-11,14,20,22H,2-4H2,1H3,(H2,15,16,17)/t7-,10-,11+,14-/m1/s1
InChIKey
ZFVXOVJSEIPINR-BKWHQTBESA-N
Compound name
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.1386 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14588 176.2
[M+Na]+ 360.12782 184.7
[M-H]- 336.13132 177.8
[M+NH4]+ 355.17242 186.1
[M+K]+ 376.10176 182.3
[M+H-H2O]+ 320.13586 167.8
[M+HCOO]- 382.13680 191.7
[M+CH3COO]- 396.15245 207.6
[M+Na-2H]- 358.11327 175.5
[M]+ 337.13805 179.3
[M]- 337.13915 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.