CID 295006

1-(1-naphthyl)-3-(p-tolyl)urea

Structural Information

Molecular Formula
C18H16N2O
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H16N2O/c1-13-9-11-15(12-10-13)19-18(21)20-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H2,19,20,21)
InChIKey
IPWHVEFFZGMDFD-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

276.12625 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 162.7
[M+Na]+ 299.11547 169.1
[M-H]- 275.11897 170.2
[M+NH4]+ 294.16007 178.9
[M+K]+ 315.08941 164.1
[M+H-H2O]+ 259.12351 154.3
[M+HCOO]- 321.12445 186.9
[M+CH3COO]- 335.14010 174.3
[M+Na-2H]- 297.10092 170.1
[M]+ 276.12570 161.2
[M]- 276.12680 161.2
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