CID 11638938

Chembl201450

Structural Information

Molecular Formula
C19H16ClN3O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C19H16ClN3O2/c20-15-9-4-5-10-16(15)22-19(24)23-18-17(11-6-12-21-18)25-13-14-7-2-1-3-8-14/h1-12H,13H2,(H2,21,22,23,24)
InChIKey
HOOPYBWMXMCQQZ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.0931 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10038 180.9
[M+Na]+ 376.08232 187.3
[M-H]- 352.08582 188.8
[M+NH4]+ 371.12692 191.9
[M+K]+ 392.05626 180.9
[M+H-H2O]+ 336.09036 170.8
[M+HCOO]- 398.09130 200.5
[M+CH3COO]- 412.10695 190.9
[M+Na-2H]- 374.06777 186.7
[M]+ 353.09255 182.6
[M]- 353.09365 182.6
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.