CID 493446

(2r,3r,5s)-2-[5-chloro-7-(cycloheptylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C18H25ClN4O3
SMILES
C1CCCC(CC1)NC2=CC(=NC3=C2N=CN3[C@H]4[C@@H](C[C@H](O4)CO)O)Cl
InChI
InChI=1S/C18H25ClN4O3/c19-15-8-13(21-11-5-3-1-2-4-6-11)16-17(22-15)23(10-20-16)18-14(25)7-12(9-24)26-18/h8,10-12,14,18,24-25H,1-7,9H2,(H,21,22)/t12-,14+,18+/m0/s1
InChIKey
HUCVAVFSWDNICJ-WPKBUWHJSA-N
Compound name
(2R,3R,5S)-2-[5-chloro-7-(cycloheptylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

380.16153 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16881 189.8
[M+Na]+ 403.15075 195.9
[M-H]- 379.15425 195.8
[M+NH4]+ 398.19535 199.5
[M+K]+ 419.12469 194.3
[M+H-H2O]+ 363.15879 179.1
[M+HCOO]- 425.15973 198.8
[M+CH3COO]- 439.17538 197.6
[M+Na-2H]- 401.13620 187.3
[M]+ 380.16098 185.6
[M]- 380.16208 185.6
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.