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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.