CID 5116189

877458-93-0

Structural Information

Molecular Formula
C20H16N4O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC(=C3)C#N
InChI
InChI=1S/C20H16N4O2/c21-13-16-8-4-9-17(12-16)23-20(25)24-19-18(10-5-11-22-19)26-14-15-6-2-1-3-7-15/h1-12H,14H2,(H2,22,23,24,25)
InChIKey
UGGPYOCOTMIGDI-UHFFFAOYSA-N
Compound name
1-(3-cyanophenyl)-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.12732 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 186.8
[M+Na]+ 367.11654 194.2
[M-H]- 343.12004 192.0
[M+NH4]+ 362.16114 195.5
[M+K]+ 383.09048 187.1
[M+H-H2O]+ 327.12458 169.5
[M+HCOO]- 389.12552 206.1
[M+CH3COO]- 403.14117 194.4
[M+Na-2H]- 365.10199 190.9
[M]+ 344.12677 180.5
[M]- 344.12787 180.5
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.