CID 464413

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

Structural Information

Molecular Formula
C17H24N4O2
SMILES
C1CCC(CC1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C17H24N4O2/c22-10-13-6-7-15(23-13)21-11-19-16-14(8-9-18-17(16)21)20-12-4-2-1-3-5-12/h8-9,11-13,15,22H,1-7,10H2,(H,18,20)/t13-,15+/m0/s1
InChIKey
AAKYHYMPGLTQDH-DZGCQCFKSA-N
Compound name
[(2S,5R)-5-[7-(cyclohexylamino)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

316.1899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 171.9
[M+Na]+ 339.17912 176.8
[M-H]- 315.18262 177.5
[M+NH4]+ 334.22372 184.0
[M+K]+ 355.15306 173.0
[M+H-H2O]+ 299.18716 162.1
[M+HCOO]- 361.18810 187.3
[M+CH3COO]- 375.20375 181.1
[M+Na-2H]- 337.16457 172.4
[M]+ 316.18935 167.9
[M]- 316.19045 167.9
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.