CID 452772

3'tbunhda

Structural Information

Molecular Formula
C14H22N6O3
SMILES
CC(C)(C)N[C@@H]1[C@H](O[C@H]([C@H]1O)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C14H22N6O3/c1-14(2,3)19-8-7(4-21)23-13(10(8)22)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
PZDRIUCTYCVFFU-WKRBSTNYSA-N
Compound name
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-(tert-butylamino)-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.17532 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.182596 177.2
[M+Na]+ 345.164538 185.8
[M-H]- 321.168044 179.2
[M+NH4]+ 340.209143 188.0
[M+K]+ 361.138478 182.7
[M+H-H2O]+ 305.172580 169.4
[M+HCOO]- 367.173521 192.6
[M+CH3COO]- 381.189171 208.6
[M+Na-2H]- 343.149986 179.2
[M]+ 322.17477142 177.8
[M]- 322.17586858 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.