CID 2813892

1-cyclohexyl-1-methyl-3-phenylurea

Structural Information

Molecular Formula
C14H20N2O
SMILES
CN(C1CCCCC1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,15,17)
InChIKey
UETYSSIXKKSCFG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1-methyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

232.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 154.4
[M+Na]+ 255.14678 156.4
[M-H]- 231.15028 161.0
[M+NH4]+ 250.19138 171.5
[M+K]+ 271.12072 154.9
[M+H-H2O]+ 215.15482 146.2
[M+HCOO]- 277.15576 176.4
[M+CH3COO]- 291.17141 197.0
[M+Na-2H]- 253.13223 158.2
[M]+ 232.15701 148.9
[M]- 232.15811 148.9
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