CID 3663276

877458-90-7

Structural Information

Molecular Formula
C19H17N3O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H17N3O2/c23-19(21-16-10-5-2-6-11-16)22-18-17(12-7-13-20-18)24-14-15-8-3-1-4-9-15/h1-13H,14H2,(H2,20,21,22,23)
InChIKey
PFMMAQSZJDBKOE-UHFFFAOYSA-N
Compound name
1-phenyl-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

319.13208 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 173.4
[M+Na]+ 342.12130 178.1
[M-H]- 318.12480 181.2
[M+NH4]+ 337.16590 184.6
[M+K]+ 358.09524 173.2
[M+H-H2O]+ 302.12934 162.6
[M+HCOO]- 364.13028 197.6
[M+CH3COO]- 378.14593 183.4
[M+Na-2H]- 340.10675 180.6
[M]+ 319.13153 172.2
[M]- 319.13263 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.