CID 5270782

Chembl161462

Structural Information

Molecular Formula
C15H17Cl2N3O4
SMILES
CC(=O)OCC(CCN1C=NC2=CC(=C(N=C21)Cl)Cl)COC(=O)C
InChI
InChI=1S/C15H17Cl2N3O4/c1-9(21)23-6-11(7-24-10(2)22)3-4-20-8-18-13-5-12(16)14(17)19-15(13)20/h5,8,11H,3-4,6-7H2,1-2H3
InChIKey
UJNLIVFMTXGCOI-UHFFFAOYSA-N
Compound name
[2-(acetyloxymethyl)-4-(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)butyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0596 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.06688 178.5
[M+Na]+ 396.04882 188.6
[M-H]- 372.05232 179.0
[M+NH4]+ 391.09342 191.1
[M+K]+ 412.02276 184.0
[M+H-H2O]+ 356.05686 170.9
[M+HCOO]- 418.05780 187.6
[M+CH3COO]- 432.07345 213.5
[M+Na-2H]- 394.03427 178.7
[M]+ 373.05905 189.3
[M]- 373.06015 189.3
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.