CID 72000499

6-chloro-n-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyridine-3-carboxamide

Structural Information

Molecular Formula

C₁₄H₁₆ClN₃OS

SMILES

CCC(C)(C1=NC(=CS1)C)NC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-4-14(3,13-17-9(2)8-20-13)18-12(19)10-5-6-11(15)16-7-10/h5-8H,4H2,1-3H3,(H,18,19)

InChIKey

RLZQDGCOXJIIHZ-UHFFFAOYSA-N

Compound name

6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.07025 Da
Monoisotopic Mass: 3.2
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]+	310.077526	171.3
[M+Na]+	332.059468	180.3
[M-H]-	308.062974	176.2
[M+NH4]+	327.104073	186.8
[M+K]+	348.033408	174.7
[M+H-H2O]+	292.067510	164.1
[M+HCOO]-	354.068451	183.0
[M+CH3COO]-	368.084101	203.4
[M+Na-2H]-	330.044916	172.1
[M]+	309.06970142	176.0
[M]-	309.07079858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.