CID 407361

2-stearyl-2-thiopsuedourea

Structural Information

Molecular Formula

C₁₉H₄₀N₂S

SMILES

CCCCCCCCCCCCCCCCCCSC(=N)N

InChI

InChI=1S/C19H40N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h2-18H2,1H3,(H3,20,21)

InChIKey

IQYGWEPIBFAIEX-UHFFFAOYSA-N

Compound name

octadecyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 328.29123 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]+	329.29851	187.8
[M+Na]+	351.28045	192.8
[M+NH4]+	346.32505	193.7
[M+K]+	367.25439	182.7
[M-H]-	327.28395	187.8
[M+Na-2H]-	349.26590	187.3
[M]+	328.29068	188.5
[M]-	328.29178	188.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe