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

literature stripe

Patent stripe

patents stripe