CID 216982

Brn 3034973

Structural Information

Molecular Formula
C20H30N2O
SMILES
C1CCC(CC1)CC2CCC(CC2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H30N2O/c23-20(21-18-9-5-2-6-10-18)22-19-13-11-17(12-14-19)15-16-7-3-1-4-8-16/h2,5-6,9-10,16-17,19H,1,3-4,7-8,11-15H2,(H2,21,22,23)
InChIKey
FABXIIWPXCRQRB-UHFFFAOYSA-N
Compound name
1-[4-(cyclohexylmethyl)cyclohexyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.2358 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 181.2
[M+Na]+ 337.22502 190.4
[M+NH4]+ 332.26962 189.7
[M+K]+ 353.19896 182.1
[M-H]- 313.22852 188.3
[M+Na-2H]- 335.21047 188.3
[M]+ 314.23525 184.2
[M]- 314.23635 184.2
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

patents stripe