CID 4409608

1-dodecanoyl-2-thiourea

Structural Information

Molecular Formula

C₁₃H₂₆N₂OS

SMILES

CCCCCCCCCCCC(=O)NC(=S)N

InChI

InChI=1S/C13H26N2OS/c1-2-3-4-5-6-7-8-9-10-11-12(16)15-13(14)17/h2-11H2,1H3,(H3,14,15,16,17)

InChIKey

HQWHWMJZCIBUFW-UHFFFAOYSA-N

Compound name

N-carbamothioyldodecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 258.17657 Da
Monoisotopic Mass: 5.1
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]+	259.18385	165.7
[M+Na]+	281.16579	171.1
[M+NH4]+	276.21039	171.6
[M+K]+	297.13973	163.6
[M-H]-	257.16929	165.0
[M+Na-2H]-	279.15124	165.7
[M]+	258.17602	166.2
[M]-	258.17712	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe