CID 3049955

N-(3-methyl-2-thiazolidinylidene)nicotinamide

Structural Information

Molecular Formula

C₁₀H₁₁N₃OS

SMILES

CN1CCSC1=NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C10H11N3OS/c1-13-5-6-15-10(13)12-9(14)8-3-2-4-11-7-8/h2-4,7H,5-6H2,1H3

InChIKey

ZLMLIUNCFWMYBB-UHFFFAOYSA-N

Compound name

N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 221.06229 Da
Monoisotopic Mass: 1.1
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]+	222.06957	148.3
[M+Na]+	244.05151	159.1
[M+NH4]+	239.09611	156.4
[M+K]+	260.02545	152.8
[M-H]-	220.05501	151.3
[M+Na-2H]-	242.03696	154.6
[M]+	221.06174	150.9
[M]-	221.06284	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe