CID 464417

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

Structural Information

Molecular Formula
C19H28N4O2
SMILES
C1CCCC(CCC1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C19H28N4O2/c24-12-15-8-9-17(25-15)23-13-21-18-16(10-11-20-19(18)23)22-14-6-4-2-1-3-5-7-14/h10-11,13-15,17,24H,1-9,12H2,(H,20,22)/t15-,17+/m0/s1
InChIKey
BCAXASVAFZIQDJ-DOTOQJQBSA-N
Compound name
[(2S,5R)-5-[7-(cyclooctylamino)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

344.22122 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22850 174.4
[M+Na]+ 367.21044 177.8
[M-H]- 343.21394 177.0
[M+NH4]+ 362.25504 179.4
[M+K]+ 383.18438 176.9
[M+H-H2O]+ 327.21848 168.8
[M+HCOO]- 389.21942 180.6
[M+CH3COO]- 403.23507 177.1
[M+Na-2H]- 365.19589 171.4
[M]+ 344.22067 172.1
[M]- 344.22177 172.1
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.