CID 24839165

Brn 5073199

Structural Information

Molecular Formula

C₁₅H₁₄ClN₃O

SMILES

CC(C)N1C2=C(N=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14ClN3O/c1-10(2)18-12-8-9-13(16)17-14(12)19(15(18)20)11-6-4-3-5-7-11/h3-10H,1-2H3

InChIKey

MIHSLXSBQFWZOR-UHFFFAOYSA-N

Compound name

5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.08255 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.089826	163.7
[M+Na]+	310.071768	176.5
[M-H]-	286.075274	168.4
[M+NH4]+	305.116373	179.5
[M+K]+	326.045708	169.9
[M+H-H2O]+	270.079810	154.8
[M+HCOO]-	332.080751	180.2
[M+CH3COO]-	346.096401	176.3
[M+Na-2H]-	308.057216	167.6
[M]+	287.08200142	169.3
[M]-	287.08309858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.