CID 3054232

Brn 5069022

Structural Information

Molecular Formula

C₁₂H₉ClN₄O

SMILES

CN1C2=C(N=C(C=C2)Cl)N(C1=O)C3=CC=CC=N3

InChI

InChI=1S/C12H9ClN4O/c1-16-8-5-6-9(13)15-11(8)17(12(16)18)10-4-2-3-7-14-10/h2-7H,1H3

InChIKey

ILCIQRQBMKXHBU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 260.04648 Da
Monoisotopic Mass: 2.0
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]+	261.053756	155.1
[M+Na]+	283.035698	169.5
[M-H]-	259.039204	158.6
[M+NH4]+	278.080303	170.5
[M+K]+	299.009638	162.8
[M+H-H2O]+	243.043740	145.6
[M+HCOO]-	305.044681	172.1
[M+CH3COO]-	319.060331	168.2
[M+Na-2H]-	281.021146	161.5
[M]+	260.04593142	160.5
[M]-	260.04702858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe