CID 299755

1-(4-cyclohexylmethylcyclohexyl)-3-(m-tolyl)urea

Structural Information

Molecular Formula
C21H32N2O
SMILES
CC1=CC(=CC=C1)NC(=O)NC2CCC(CC2)CC3CCCCC3
InChI
InChI=1S/C21H32N2O/c1-16-6-5-9-20(14-16)23-21(24)22-19-12-10-18(11-13-19)15-17-7-3-2-4-8-17/h5-6,9,14,17-19H,2-4,7-8,10-13,15H2,1H3,(H2,22,23,24)
InChIKey
KEPFKNDJHUYRKY-UHFFFAOYSA-N
Compound name
1-[4-(cyclohexylmethyl)cyclohexyl]-3-(3-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25874 181.8
[M+Na]+ 351.24068 180.6
[M-H]- 327.24418 188.6
[M+NH4]+ 346.28528 194.0
[M+K]+ 367.21462 176.1
[M+H-H2O]+ 311.24872 172.1
[M+HCOO]- 373.24966 197.9
[M+CH3COO]- 387.26531 214.1
[M+Na-2H]- 349.22613 180.8
[M]+ 328.25091 171.3
[M]- 328.25201 171.3
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.