CID 464406

N(6)me-1-deaza-dda

Structural Information

Molecular Formula
C12H16N4O2
SMILES
CNC1=C2C(=NC=C1)N(C=N2)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C12H16N4O2/c1-13-9-4-5-14-12-11(9)15-7-16(12)10-3-2-8(6-17)18-10/h4-5,7-8,10,17H,2-3,6H2,1H3,(H,13,14)/t8-,10+/m0/s1
InChIKey
FVPRFUDAOUBLTD-WCBMZHEXSA-N
Compound name
[(2S,5R)-5-[7-(methylamino)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

248.12732 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.134596 153.6
[M+Na]+ 271.116538 162.6
[M-H]- 247.120044 157.5
[M+NH4]+ 266.161143 169.4
[M+K]+ 287.090478 159.9
[M+H-H2O]+ 231.124580 145.5
[M+HCOO]- 293.125521 173.7
[M+CH3COO]- 307.141171 165.7
[M+Na-2H]- 269.101986 157.6
[M]+ 248.12677142 154.7
[M]- 248.12786858 154.7
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.