CID 15942672

1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C19H14F3N3O2
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=NC=C3)C(F)(F)F
InChI
InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)
InChIKey
DDDLGNOZDKDSEG-UHFFFAOYSA-N
Compound name
1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

373.10382 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11110 183.6
[M+Na]+ 396.09304 189.9
[M-H]- 372.09654 187.9
[M+NH4]+ 391.13764 192.9
[M+K]+ 412.06698 184.1
[M+H-H2O]+ 356.10108 170.5
[M+HCOO]- 418.10202 202.9
[M+CH3COO]- 432.11767 218.5
[M+Na-2H]- 394.07849 188.9
[M]+ 373.10327 179.1
[M]- 373.10437 179.1
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