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]+ 249.13460 153.6
[M+Na]+ 271.11654 162.6
[M-H]- 247.12004 157.5
[M+NH4]+ 266.16114 169.4
[M+K]+ 287.09048 159.9
[M+H-H2O]+ 231.12458 145.5
[M+HCOO]- 293.12552 173.7
[M+CH3COO]- 307.14117 165.7
[M+Na-2H]- 269.10199 157.6
[M]+ 248.12677 154.7
[M]- 248.12787 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.