CID 6481029

2-hydroxy-4-methoxy-n-(4-methylthiazol-2-yl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃S

SMILES

CC1=CSC(=N1)NC(=O)C2=C(C=C(C=C2)OC)O

InChI

InChI=1S/C12H12N2O3S/c1-7-6-18-12(13-7)14-11(16)9-4-3-8(17-2)5-10(9)15/h3-6,15H,1-2H3,(H,13,14,16)

InChIKey

BKMWUTAHCRZGTK-UHFFFAOYSA-N

Compound name

2-hydroxy-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.05685 Da
Monoisotopic Mass: 2.7
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]+	265.064126	157.0
[M+Na]+	287.046068	165.9
[M-H]-	263.049574	162.3
[M+NH4]+	282.090673	174.0
[M+K]+	303.020008	162.3
[M+H-H2O]+	247.054110	150.2
[M+HCOO]-	309.055051	175.8
[M+CH3COO]-	323.070701	193.7
[M+Na-2H]-	285.031516	157.7
[M]+	264.05630142	160.6
[M]-	264.05739858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.