CID 3040316

52030-15-6

Structural Information

Molecular Formula

C₁₆H₃₂N₂O

SMILES

CCCC(CCC)C(C)NC(=O)NC1CCCCC1

InChI

InChI=1S/C16H32N2O/c1-4-9-14(10-5-2)13(3)17-16(19)18-15-11-7-6-8-12-15/h13-15H,4-12H2,1-3H3,(H2,17,18,19)

InChIKey

HLNNDIVDMQMWRJ-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-(3-propylhexan-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 268.25146 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]+	269.25874	172.5
[M+Na]+	291.24068	171.7
[M-H]-	267.24418	173.7
[M+NH4]+	286.28528	187.8
[M+K]+	307.21462	170.1
[M+H-H2O]+	251.24872	165.0
[M+HCOO]-	313.24966	189.7
[M+CH3COO]-	327.26531	205.8
[M+Na-2H]-	289.22613	170.7
[M]+	268.25091	167.7
[M]-	268.25201	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe