CID 452775

3'dietnhda

Structural Information

Molecular Formula
C14H22N6O3
SMILES
CCN(CC)[C@@H]1[C@H](O[C@H]([C@H]1O)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C14H22N6O3/c1-3-19(4-2)10-8(5-21)23-14(11(10)22)20-7-18-9-12(15)16-6-17-13(9)20/h6-8,10-11,14,21-22H,3-5H2,1-2H3,(H2,15,16,17)/t8-,10-,11+,14-/m1/s1
InChIKey
CFQAXOUPRCNLFJ-GCDPNZCJSA-N
Compound name
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-(diethylamino)-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.17532 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18260 175.2
[M+Na]+ 345.16454 183.5
[M-H]- 321.16804 178.1
[M+NH4]+ 340.20914 186.4
[M+K]+ 361.13848 181.1
[M+H-H2O]+ 305.17258 166.3
[M+HCOO]- 367.17352 192.8
[M+CH3COO]- 381.18917 211.7
[M+Na-2H]- 343.14999 175.4
[M]+ 322.17477 177.5
[M]- 322.17587 177.5
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.