CID 13259027

88571-04-4

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

CC1=CN=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)O

InChI

InChI=1S/C16H15N3O2/c1-10-3-5-12(17-8-10)16-13(7-15(20)21)19-9-11(2)4-6-14(19)18-16/h3-6,8-9H,7H2,1-2H3,(H,20,21)

InChIKey

XMJMYEFIASIUAK-UHFFFAOYSA-N

Compound name

2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.11642 Da
Monoisotopic Mass: 2.6
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]+	282.123696	165.1
[M+Na]+	304.105638	176.2
[M-H]-	280.109144	168.8
[M+NH4]+	299.150243	179.5
[M+K]+	320.079578	170.6
[M+H-H2O]+	264.113680	156.2
[M+HCOO]-	326.114621	184.8
[M+CH3COO]-	340.130271	176.9
[M+Na-2H]-	302.091086	168.7
[M]+	281.11587142	168.6
[M]-	281.11696858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.