CID 452097

2',3'-dideoxy-2-iodoadenosine

Structural Information

Molecular Formula
C10H12IN5O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)I)N
InChI
InChI=1S/C10H12IN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1
InChIKey
LFHDAOZGSUAZDC-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(6-amino-2-iodopurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

361.00357 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.01085 157.9
[M+Na]+ 383.99279 161.3
[M-H]- 359.99629 153.7
[M+NH4]+ 379.03739 167.4
[M+K]+ 399.96673 164.0
[M+H-H2O]+ 344.00083 146.2
[M+HCOO]- 406.00177 171.7
[M+CH3COO]- 420.01742 165.5
[M+Na-2H]- 381.97824 149.5
[M]+ 361.00302 155.8
[M]- 361.00412 155.8
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

patents stripe