CID 5273015

3'-iodo-3'-deoxyxyloa

Structural Information

Molecular Formula
C10H12IN5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)I)O)N
InChI
InChI=1S/C10H12IN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5+,7-,10-/m1/s1
InChIKey
OISWIMRZJWVCOV-GQTRHBFLSA-N
Compound name
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-iodooxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

376.9985 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.00578 163.2
[M+Na]+ 399.98772 166.8
[M-H]- 375.99122 158.3
[M+NH4]+ 395.03232 171.7
[M+K]+ 415.96166 169.3
[M+H-H2O]+ 359.99576 152.0
[M+HCOO]- 421.99670 175.7
[M+CH3COO]- 436.01235 170.2
[M+Na-2H]- 397.97317 153.8
[M]+ 376.99795 161.1
[M]- 376.99905 161.1
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.