CID 4109614

13256-87-6

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 165.5
[M+Na]+ 319.06088 173.3
[M-H]- 295.06438 172.9
[M+NH4]+ 314.10548 181.9
[M+K]+ 335.03482 166.7
[M+H-H2O]+ 279.06892 158.0
[M+HCOO]- 341.06986 185.6
[M+CH3COO]- 355.08551 177.1
[M+Na-2H]- 317.04633 172.9
[M]+ 296.07111 166.2
[M]- 296.07221 166.2
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.