CID 280350

1-cyclohexyl-3-(p-tolyl)urea

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1=CC=C(C=C1)NC(=O)NC2CCCCC2
InChI
InChI=1S/C14H20N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,15,16,17)
InChIKey
BLRWQLNOZYSUKM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

232.15756 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 154.1
[M+Na]+ 255.14678 156.9
[M-H]- 231.15028 159.6
[M+NH4]+ 250.19138 170.9
[M+K]+ 271.12072 154.0
[M+H-H2O]+ 215.15482 146.3
[M+HCOO]- 277.15576 175.6
[M+CH3COO]- 291.17141 194.8
[M+Na-2H]- 253.13223 158.0
[M]+ 232.15701 147.8
[M]- 232.15811 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe