CID 10618794

6-chloro-8-iodo-9-(oxan-2-yl)-9h-purine

Structural Information

Molecular Formula
C10H10ClIN4O
SMILES
C1CCOC(C1)N2C3=C(C(=NC=N3)Cl)N=C2I
InChI
InChI=1S/C10H10ClIN4O/c11-8-7-9(14-5-13-8)16(10(12)15-7)6-3-1-2-4-17-6/h5-6H,1-4H2
InChIKey
BXQRTALSUYBNJB-UHFFFAOYSA-N
Compound name
6-chloro-8-iodo-9-(oxan-2-yl)purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

363.9588 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.966076 150.2
[M+Na]+ 386.948018 154.0
[M-H]- 362.951524 145.8
[M+NH4]+ 381.992623 159.4
[M+K]+ 402.921958 155.7
[M+H-H2O]+ 346.956060 137.3
[M+HCOO]- 408.957001 158.1
[M+CH3COO]- 422.972651 158.0
[M+Na-2H]- 384.933466 144.9
[M]+ 363.95825142 149.0
[M]- 363.95934858 149.0
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