CID 4196307

1-(naphthalen-1-yl)-3-(m-tolyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
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

No patent data available for this compound.