CID 464409

N(6)-c-bu-1-deaza-dda

Structural Information

Molecular Formula
C15H20N4O2
SMILES
C1CC(C1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C15H20N4O2/c20-8-11-4-5-13(21-11)19-9-17-14-12(6-7-16-15(14)19)18-10-2-1-3-10/h6-7,9-11,13,20H,1-5,8H2,(H,16,18)/t11-,13+/m0/s1
InChIKey
TXRHPOLPRXMXES-WCQYABFASA-N
Compound name
[(2S,5R)-5-[7-(cyclobutylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.15863 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 158.3
[M+Na]+ 311.14785 163.7
[M-H]- 287.15135 164.4
[M+NH4]+ 306.19245 165.7
[M+K]+ 327.12179 163.8
[M+H-H2O]+ 271.15589 144.5
[M+HCOO]- 333.15683 175.6
[M+CH3COO]- 347.17248 168.6
[M+Na-2H]- 309.13330 160.4
[M]+ 288.15808 166.1
[M]- 288.15918 166.1
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

No patent data available for this compound.