CID 668231

13256-79-6

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

31
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 165.2
[M+Na]+ 299.11547 179.4
[M+NH4]+ 294.16007 174.5
[M+K]+ 315.08941 170.3
[M-H]- 275.11897 172.0
[M+Na-2H]- 297.10092 175.5
[M]+ 276.12570 169.2
[M]- 276.12680 169.2
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