CID 85049798

Schembl30287585

Structural Information

Molecular Formula

C₁₄H₂₈N₄O₂

SMILES

CCCCCCNC(=O)N=NC(=O)NCCCCCC

InChI

InChI=1S/C14H28N4O2/c1-3-5-7-9-11-15-13(19)17-18-14(20)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,19)(H,16,20)

InChIKey

CXKKARJENMTTCP-UHFFFAOYSA-N

Compound name

1-hexyl-3-(hexylcarbamoylimino)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 284.22122 Da
Monoisotopic Mass: 4.5
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]+	285.228496	172.8
[M+Na]+	307.210438	174.7
[M-H]-	283.213944	174.5
[M+NH4]+	302.255043	188.8
[M+K]+	323.184378	174.4
[M+H-H2O]+	267.218480	164.4
[M+HCOO]-	329.219421	200.1
[M+CH3COO]-	343.235071	216.1
[M+Na-2H]-	305.195886	175.1
[M]+	284.22067142	176.7
[M]-	284.22176858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe