CID 4143246

877459-07-9

Structural Information

Molecular Formula
C25H21N3O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC=C3C4=CC=CC=C4
InChI
InChI=1S/C25H21N3O2/c29-25(27-22-15-8-7-14-21(22)20-12-5-2-6-13-20)28-24-23(16-9-17-26-24)30-18-19-10-3-1-4-11-19/h1-17H,18H2,(H2,26,27,28,29)
InChIKey
ODKMHOMYRMQYJC-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxypyridin-2-yl)-3-(2-phenylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.1634 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 194.6
[M+Na]+ 418.15262 198.6
[M-H]- 394.15612 204.9
[M+NH4]+ 413.19722 202.0
[M+K]+ 434.12656 192.0
[M+H-H2O]+ 378.16066 181.9
[M+HCOO]- 440.16160 217.5
[M+CH3COO]- 454.17725 203.0
[M+Na-2H]- 416.13807 200.3
[M]+ 395.16285 192.9
[M]- 395.16395 192.9
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.