CID 4070386

1,1-dicyclohexyl-3-(p-tolyl)urea

Structural Information

Molecular Formula
C20H30N2O
SMILES
CC1=CC=C(C=C1)NC(=O)N(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C20H30N2O/c1-16-12-14-17(15-13-16)21-20(23)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-15,18-19H,2-11H2,1H3,(H,21,23)
InChIKey
WVPYSUORVNZIFY-UHFFFAOYSA-N
Compound name
1,1-dicyclohexyl-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2358 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 177.5
[M+Na]+ 337.22502 176.0
[M-H]- 313.22852 185.6
[M+NH4]+ 332.26962 190.6
[M+K]+ 353.19896 173.1
[M+H-H2O]+ 297.23306 167.6
[M+HCOO]- 359.23400 194.4
[M+CH3COO]- 373.24965 213.2
[M+Na-2H]- 335.21047 177.0
[M]+ 314.23525 167.5
[M]- 314.23635 167.5
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