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 176.8
[M+Na]+ 337.22502 175.1
[M-H]- 313.22852 183.4
[M+NH4]+ 332.26962 189.2
[M+K]+ 353.19896 170.8
[M+H-H2O]+ 297.23306 167.1
[M+HCOO]- 359.23400 193.2
[M+CH3COO]- 373.24965 209.9
[M+Na-2H]- 335.21047 177.1
[M]+ 314.23525 165.6
[M]- 314.23635 165.6
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