CID 581431

N-dodecyl-n'-(1,3-thiazol-2-yl)oxamide

Structural Information

Molecular Formula

C₁₇H₂₉N₃O₂S

SMILES

CCCCCCCCCCCCNC(=O)C(=O)NC1=NC=CS1

InChI

InChI=1S/C17H29N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(21)16(22)20-17-19-13-14-23-17/h13-14H,2-12H2,1H3,(H,18,21)(H,19,20,22)

InChIKey

RYBYKHDWYRKFEL-UHFFFAOYSA-N

Compound name

N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.19806 Da
Monoisotopic Mass: 5.8
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]+	340.205336	185.3
[M+Na]+	362.187278	187.6
[M-H]-	338.190784	186.1
[M+NH4]+	357.231883	199.0
[M+K]+	378.161218	183.7
[M+H-H2O]+	322.195320	176.4
[M+HCOO]-	384.196261	202.2
[M+CH3COO]-	398.211911	213.4
[M+Na-2H]-	360.172726	182.8
[M]+	339.19751142	189.9
[M]-	339.19860858	189.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.