CID 20691

Tetrabutylurea

Structural Information

Molecular Formula

C₁₇H₃₆N₂O

SMILES

CCCCN(CCCC)C(=O)N(CCCC)CCCC

InChI

InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3

InChIKey

SNDGLCYYBKJSOT-UHFFFAOYSA-N

Compound name

1,1,3,3-tetrabutylurea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2121
Patents: 284.28278 Da
Monoisotopic Mass: 4.7
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]+	285.29006	180.8
[M+Na]+	307.27200	182.3
[M-H]-	283.27550	182.0
[M+NH4]+	302.31660	197.5
[M+K]+	323.24594	182.2
[M+H-H2O]+	267.28004	173.0
[M+HCOO]-	329.28098	203.4
[M+CH3COO]-	343.29663	217.6
[M+Na-2H]-	305.25745	179.5
[M]+	284.28223	187.1
[M]-	284.28333	187.1

Literature stripe

literature stripe

Patent stripe

patents stripe