CID 668231

1-benzyl-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C18H16N2O
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H16N2O/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H2,19,20,21)
InChIKey
FWIZGBBRZIIRBG-UHFFFAOYSA-N
Compound name
1-benzyl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

41
Patents

276.12625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 162.0
[M+Na]+ 299.11547 167.5
[M-H]- 275.11897 169.1
[M+NH4]+ 294.16007 177.9
[M+K]+ 315.08941 162.4
[M+H-H2O]+ 259.12351 153.4
[M+HCOO]- 321.12445 186.3
[M+CH3COO]- 335.14010 173.3
[M+Na-2H]- 297.10092 170.2
[M]+ 276.12570 160.1
[M]- 276.12680 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe