CID 464412

2cl-n(6)-c-hex-1-deaza-dda

Structural Information

Molecular Formula
C17H23ClN4O2
SMILES
C1CCC(CC1)NC2=CC(=NC3=C2N=CN3[C@H]4CC[C@H](O4)CO)Cl
InChI
InChI=1S/C17H23ClN4O2/c18-14-8-13(20-11-4-2-1-3-5-11)16-17(21-14)22(10-19-16)15-7-6-12(9-23)24-15/h8,10-12,15,23H,1-7,9H2,(H,20,21)/t12-,15+/m0/s1
InChIKey
LVTQBRHVNWJLNJ-SWLSCSKDSA-N
Compound name
[(2S,5R)-5-[5-chloro-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

350.15094 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15822 181.7
[M+Na]+ 373.14016 188.1
[M-H]- 349.14366 187.2
[M+NH4]+ 368.18476 193.5
[M+K]+ 389.11410 182.9
[M+H-H2O]+ 333.14820 172.1
[M+HCOO]- 395.14914 192.1
[M+CH3COO]- 409.16479 190.5
[M+Na-2H]- 371.12561 180.6
[M]+ 350.15039 180.1
[M]- 350.15149 180.1
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.