CID 4089246

N-cyclohexyl-n'-heptylurea

Structural Information

Molecular Formula

C₁₄H₂₈N₂O

SMILES

CCCCCCCNC(=O)NC1CCCCC1

InChI

InChI=1S/C14H28N2O/c1-2-3-4-5-9-12-15-14(17)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H2,15,16,17)

InChIKey

FTGMRFVJYREUIV-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-heptylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 240.22017 Da
Monoisotopic Mass: 4.1
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]+	241.22745	162.0
[M+Na]+	263.20939	162.5
[M-H]-	239.21289	163.4
[M+NH4]+	258.25399	178.6
[M+K]+	279.18333	160.4
[M+H-H2O]+	223.21743	154.6
[M+HCOO]-	285.21837	181.9
[M+CH3COO]-	299.23402	198.0
[M+Na-2H]-	261.19484	163.8
[M]+	240.21962	157.8
[M]-	240.22072	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe