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]+ 261.19615 164.1
[M+Na]+ 283.17809 165.8
[M-H]- 259.18159 170.2
[M+NH4]+ 278.22269 179.9
[M+K]+ 299.15203 164.1
[M+H-H2O]+ 243.18613 155.9
[M+HCOO]- 305.18707 183.8
[M+CH3COO]- 319.20272 205.2
[M+Na-2H]- 281.16354 163.8
[M]+ 260.18832 158.2
[M]- 260.18942 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.