CID 22465447

2-methyl-5-(1-methyl-1h-imidazole-5-carbonyl)pyridine

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC1=NC=C(C=C1)C(=O)C2=CN=CN2C

InChI

InChI=1S/C11H11N3O/c1-8-3-4-9(5-13-8)11(15)10-6-12-7-14(10)2/h3-7H,1-2H3

InChIKey

ZFYHDXZZLIRENX-UHFFFAOYSA-N

Compound name

(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 201.09021 Da
Monoisotopic Mass: 1.0
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]+	202.097486	143.0
[M+Na]+	224.079428	152.7
[M-H]-	200.082934	146.4
[M+NH4]+	219.124033	160.0
[M+K]+	240.053368	149.7
[M+H-H2O]+	184.087470	134.3
[M+HCOO]-	246.088411	164.6
[M+CH3COO]-	260.104061	185.4
[M+Na-2H]-	222.064876	147.4
[M]+	201.08966142	144.2
[M]-	201.09075858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe