CID 464408

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

Structural Information

Molecular Formula
C15H19ClN4O2
SMILES
C1CC(C1)NC2=CC(=NC3=C2N=CN3[C@H]4CC[C@H](O4)CO)Cl
InChI
InChI=1S/C15H19ClN4O2/c16-12-6-11(18-9-2-1-3-9)14-15(19-12)20(8-17-14)13-5-4-10(7-21)22-13/h6,8-10,13,21H,1-5,7H2,(H,18,19)/t10-,13+/m0/s1
InChIKey
LJVLCPAERQVQOL-GXFFZTMASA-N
Compound name
[(2S,5R)-5-[5-chloro-7-(cyclobutylamino)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

322.11966 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12694 164.8
[M+Na]+ 345.10888 171.9
[M-H]- 321.11238 170.8
[M+NH4]+ 340.15348 172.0
[M+K]+ 361.08282 170.3
[M+H-H2O]+ 305.11692 151.3
[M+HCOO]- 367.11786 177.4
[M+CH3COO]- 381.13351 174.9
[M+Na-2H]- 343.09433 165.7
[M]+ 322.11911 174.8
[M]- 322.12021 174.8
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.