CID 79354

Nsc 3268

Structural Information

Molecular Formula

C₁₅H₃₂N₂S

SMILES

CCCCCCCCCCCCCCSC(=N)N

InChI

InChI=1S/C15H32N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17/h2-14H2,1H3,(H3,16,17)

InChIKey

ZFFFQLAKCJERMM-UHFFFAOYSA-N

Compound name

tetradecyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.2286 Da
Monoisotopic Mass: 6.8
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]+	273.23588	170.7
[M+Na]+	295.21782	172.4
[M-H]-	271.22132	168.6
[M+NH4]+	290.26242	186.7
[M+K]+	311.19176	168.0
[M+H-H2O]+	255.22586	163.3
[M+HCOO]-	317.22680	186.4
[M+CH3COO]-	331.24245	206.4
[M+Na-2H]-	293.20327	168.2
[M]+	272.22805	173.2
[M]-	272.22915	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe