CID 3034201

Thiourea, n,n'-didecyl-

Structural Information

Molecular Formula

C₂₁H₄₄N₂S

SMILES

CCCCCCCCCCNC(=S)NCCCCCCCCCC

InChI

InChI=1S/C21H44N2S/c1-3-5-7-9-11-13-15-17-19-22-21(24)23-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H2,22,23,24)

InChIKey

KVPJJDWEFYTGMD-UHFFFAOYSA-N

Compound name

1,3-didecylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 43
Patents: 356.3225 Da
Monoisotopic Mass: 9.0
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]+	357.32978	196.0
[M+Na]+	379.31172	195.2
[M-H]-	355.31522	193.3
[M+NH4]+	374.35632	208.9
[M+K]+	395.28566	189.7
[M+H-H2O]+	339.31976	187.5
[M+HCOO]-	401.32070	210.4
[M+CH3COO]-	415.33635	224.2
[M+Na-2H]-	377.29717	191.6
[M]+	356.32195	201.6
[M]-	356.32305	201.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe