CID 5020377

877459-38-6

Structural Information

Molecular Formula
C20H16F3N3O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-4-9-16(12-15)25-19(27)26-18-17(10-5-11-24-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,24,25,26,27)
InChIKey
ZGRJWEGBJGKHAP-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxypyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.11948 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12676 188.0
[M+Na]+ 410.10870 193.9
[M-H]- 386.11220 192.2
[M+NH4]+ 405.15330 196.7
[M+K]+ 426.08264 187.9
[M+H-H2O]+ 370.11674 174.7
[M+HCOO]- 432.11768 207.0
[M+CH3COO]- 446.13333 221.4
[M+Na-2H]- 408.09415 192.9
[M]+ 387.11893 183.9
[M]- 387.12003 183.9
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.