CID 16116

Siduron

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

CC1CCCCC1NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)

InChIKey

JXVIIQLNUPXOII-UHFFFAOYSA-N

Compound name

1-(2-methylcyclohexyl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 12
References: 17110
Patents: 232.15756 Da
Monoisotopic Mass: 3.3
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]+	233.16484	156.1
[M+Na]+	255.14678	166.3
[M+NH4]+	250.19138	164.6
[M+K]+	271.12072	159.3
[M-H]-	231.15028	161.2
[M+Na-2H]-	253.13223	163.3
[M]+	232.15701	158.7
[M]-	232.15811	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe