CID 4400459

303092-36-6

Structural Information

Molecular Formula
C19H22N2O
SMILES
C1CCC(CC1)NC(=O)NC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c22-19(20-16-11-5-2-6-12-16)21-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H2,20,21,22)
InChIKey
QKALACRQPYBCCD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-phenylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 169.1
[M+Na]+ 317.16244 171.0
[M-H]- 293.16594 177.2
[M+NH4]+ 312.20704 182.6
[M+K]+ 333.13638 166.2
[M+H-H2O]+ 277.17048 159.6
[M+HCOO]- 339.17142 190.2
[M+CH3COO]- 353.18707 178.5
[M+Na-2H]- 315.14789 173.0
[M]+ 294.17267 161.8
[M]- 294.17377 161.8
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.