CID 11508942

Chembl203099

Structural Information

Molecular Formula
C23H19N3O2
SMILES
C1=CC=C(C=C1)NC(=O)NC2=C(C=CC=N2)OCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H19N3O2/c27-23(25-19-11-2-1-3-12-19)26-22-21(14-7-15-24-22)28-16-18-10-6-9-17-8-4-5-13-20(17)18/h1-15H,16H2,(H2,24,25,26,27)
InChIKey
KPQIMDOOEUOFTC-UHFFFAOYSA-N
Compound name
1-[3-(naphthalen-1-ylmethoxy)pyridin-2-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.14774 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 186.1
[M+Na]+ 392.13696 191.1
[M-H]- 368.14046 194.5
[M+NH4]+ 387.18156 196.1
[M+K]+ 408.11090 184.9
[M+H-H2O]+ 352.14500 174.5
[M+HCOO]- 414.14594 208.4
[M+CH3COO]- 428.16159 195.2
[M+Na-2H]- 390.12241 193.7
[M]+ 369.14719 185.2
[M]- 369.14829 185.2
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.