CID 11588285

Chembl380501

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CCC1=CC(=CC=C1)NC(=O)NC2=C(C=CC=N2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H21N3O2/c1-2-16-10-6-11-18(14-16)23-21(25)24-20-19(12-7-13-22-20)26-15-17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H2,22,23,24,25)
InChIKey
UKEANYOQKPCAHT-UHFFFAOYSA-N
Compound name
1-(3-ethylphenyl)-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.1634 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 183.1
[M+Na]+ 370.15262 187.9
[M-H]- 346.15612 190.9
[M+NH4]+ 365.19722 193.5
[M+K]+ 386.12656 182.6
[M+H-H2O]+ 330.16066 172.0
[M+HCOO]- 392.16160 206.6
[M+CH3COO]- 406.17725 216.7
[M+Na-2H]- 368.13807 188.4
[M]+ 347.16285 183.0
[M]- 347.16395 183.0
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.