CID 5085991

1,1-dicyclohexyl-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C23H30N2O
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H30N2O/c26-23(24-22-17-9-11-18-10-7-8-16-21(18)22)25(19-12-3-1-4-13-19)20-14-5-2-6-15-20/h7-11,16-17,19-20H,1-6,12-15H2,(H,24,26)
InChIKey
BFNLMCOUVHVNMJ-UHFFFAOYSA-N
Compound name
1,1-dicyclohexyl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2358 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.243076 183.2
[M+Na]+ 373.225018 181.5
[M-H]- 349.228524 191.6
[M+NH4]+ 368.269623 195.4
[M+K]+ 389.198958 177.3
[M+H-H2O]+ 333.233060 172.5
[M+HCOO]- 395.234001 198.7
[M+CH3COO]- 409.249651 190.3
[M+Na-2H]- 371.210466 184.4
[M]+ 350.23525142 172.8
[M]- 350.23634858 172.8
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.