CID 3036121

3-deaza-ehna

Structural Information

Molecular Formula
C15H24N4O
SMILES
CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C1C=CN=C2N
InChI
InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)/t11-,12+/m1/s1
InChIKey
DAWSASDELFSMFB-NEPJUHHUSA-N
Compound name
(2R,3S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

276.195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.202276 168.3
[M+Na]+ 299.184218 175.4
[M-H]- 275.187724 167.2
[M+NH4]+ 294.228823 182.4
[M+K]+ 315.158158 171.1
[M+H-H2O]+ 259.192260 159.7
[M+HCOO]- 321.193201 186.1
[M+CH3COO]- 335.208851 202.4
[M+Na-2H]- 297.169666 170.1
[M]+ 276.19445142 170.3
[M]- 276.19554858 170.3
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

patents stripe