CID 5270781

1,3-propanediol, 2-[2-(5,6-dichloro-1h-imidazo[4,5-b]pyridin-1-yl)ethyl]-

Structural Information

Molecular Formula
C11H13Cl2N3O2
SMILES
C1=C2C(=NC(=C1Cl)Cl)N=CN2CCC(CO)CO
InChI
InChI=1S/C11H13Cl2N3O2/c12-8-3-9-11(15-10(8)13)14-6-16(9)2-1-7(4-17)5-18/h3,6-7,17-18H,1-2,4-5H2
InChIKey
NBMJVGPUAFAKNF-UHFFFAOYSA-N
Compound name
2-[2-(5,6-dichloroimidazo[4,5-b]pyridin-1-yl)ethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.03848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04576 158.7
[M+Na]+ 312.02770 169.9
[M-H]- 288.03120 156.6
[M+NH4]+ 307.07230 173.7
[M+K]+ 328.00164 163.4
[M+H-H2O]+ 272.03574 152.1
[M+HCOO]- 334.03668 167.3
[M+CH3COO]- 348.05233 194.2
[M+Na-2H]- 310.01315 161.9
[M]+ 289.03793 164.2
[M]- 289.03903 164.2
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.