CID 13259022

88570-79-0

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂S

SMILES

CC1=CN2C(=NC(=C2CC(=O)O)C3=CC=C(S3)C)C=C1

InChI

InChI=1S/C15H14N2O2S/c1-9-3-6-13-16-15(12-5-4-10(2)20-12)11(7-14(18)19)17(13)8-9/h3-6,8H,7H2,1-2H3,(H,18,19)

InChIKey

XOCFCRHNRQRTMB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 286.0776 Da
Monoisotopic Mass: 2.3
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]+	287.084876	164.9
[M+Na]+	309.066818	177.1
[M-H]-	285.070324	170.9
[M+NH4]+	304.111423	183.5
[M+K]+	325.040758	172.2
[M+H-H2O]+	269.074860	159.0
[M+HCOO]-	331.075801	182.6
[M+CH3COO]-	345.091451	178.0
[M+Na-2H]-	307.052266	163.9
[M]+	286.07705142	171.4
[M]-	286.07814858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe