CID 9801534

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

Structural Information

Molecular Formula
C19H13ClF3N3O2
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=CC=NC=C3
InChI
InChI=1S/C19H13ClF3N3O2/c20-17-6-3-13(11-16(17)19(21,22)23)26-18(27)25-12-1-4-14(5-2-12)28-15-7-9-24-10-8-15/h1-11H,(H2,25,26,27)
InChIKey
XMBRISOLVGBCBC-UHFFFAOYSA-N
Compound name
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

407.06485 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.07213 189.8
[M+Na]+ 430.05407 197.9
[M-H]- 406.05757 194.4
[M+NH4]+ 425.09867 199.0
[M+K]+ 446.02801 190.7
[M+H-H2O]+ 390.06211 177.5
[M+HCOO]- 452.06305 204.7
[M+CH3COO]- 466.07870 223.2
[M+Na-2H]- 428.03952 194.0
[M]+ 407.06430 188.5
[M]- 407.06540 188.5
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

patents stripe