CID 452784

2'tbunhda

Structural Information

Molecular Formula
C14H22N6O3
SMILES
CC(C)(C)N[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI
InChI=1S/C14H22N6O3/c1-14(2,3)19-8-10(22)7(4-21)23-13(8)20-6-18-9-11(15)16-5-17-12(9)20/h5-8,10,13,19,21-22H,4H2,1-3H3,(H2,15,16,17)/t7-,8-,10+,13-/m1/s1
InChIKey
QQIFWWCGYBDVOT-WKRBSTNYSA-N
Compound name
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(tert-butylamino)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.17532 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18260 177.2
[M+Na]+ 345.16454 185.8
[M-H]- 321.16804 179.2
[M+NH4]+ 340.20914 188.0
[M+K]+ 361.13848 182.7
[M+H-H2O]+ 305.17258 169.4
[M+HCOO]- 367.17352 192.6
[M+CH3COO]- 381.18917 208.6
[M+Na-2H]- 343.14999 179.2
[M]+ 322.17477 177.8
[M]- 322.17587 177.8
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.