CID 3509937

1-cyclohexyl-3-(2-methylphenyl)urea

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1=CC=CC=C1NC(=O)NC2CCCCC2
InChI
InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,15,16,17)
InChIKey
JYBQTDHFCBQLHP-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

232.15756 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.