CID 4109614

1-(3-chlorophenyl)-3-(naphthalen-1-yl)urea

Structural Information

Molecular Formula
C17H13ClN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H13ClN2O/c18-13-7-4-8-14(11-13)19-17(21)20-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H2,19,20,21)
InChIKey
GXIGKOPMCKTHTL-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.07166 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07894 166.9
[M+Na]+ 319.06088 182.7
[M+NH4]+ 314.10548 176.7
[M+K]+ 335.03482 172.9
[M-H]- 295.06438 173.9
[M+Na-2H]- 317.04633 177.3
[M]+ 296.07111 171.6
[M]- 296.07221 171.6
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.