CID 3025424

1-(4-isopropylcyclohexyl)-1-phenylurea

Structural Information

Molecular Formula
C16H24N2O
SMILES
CC(C)C1CCC(CC1)N(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C16H24N2O/c1-12(2)13-8-10-15(11-9-13)18(16(17)19)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H2,17,19)
InChIKey
HBJZKBZYVHQCJQ-UHFFFAOYSA-N
Compound name
1-phenyl-1-(4-propan-2-ylcyclohexyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 164.1
[M+Na]+ 283.178088 165.8
[M-H]- 259.181594 170.2
[M+NH4]+ 278.222693 179.9
[M+K]+ 299.152028 164.1
[M+H-H2O]+ 243.186130 155.9
[M+HCOO]- 305.187071 183.8
[M+CH3COO]- 319.202721 205.2
[M+Na-2H]- 281.163536 163.8
[M]+ 260.18832142 158.2
[M]- 260.18941858 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.