CID 491716

2',3'-dideoxytriciribine

Structural Information

Molecular Formula
C13H16N6O2
SMILES
CN1C2=NC=NC3=C2C(=CN3C4CCC(O4)CO)C(=N1)N
InChI
InChI=1S/C13H16N6O2/c1-18-12-10-8(11(14)17-18)4-19(13(10)16-6-15-12)9-3-2-7(5-20)21-9/h4,6-7,9,20H,2-3,5H2,1H3,(H2,14,17)
InChIKey
CYOOJKUGCSOEPM-UHFFFAOYSA-N
Compound name
[5-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

288.13348 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14076 166.6
[M+Na]+ 311.12270 177.2
[M-H]- 287.12620 168.3
[M+NH4]+ 306.16730 179.3
[M+K]+ 327.09664 173.1
[M+H-H2O]+ 271.13074 157.5
[M+HCOO]- 333.13168 181.3
[M+CH3COO]- 347.14733 177.0
[M+Na-2H]- 309.10815 168.9
[M]+ 288.13293 168.3
[M]- 288.13403 168.3
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