CID 4128827

1-(3-benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C19H16ClN3O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H16ClN3O2/c20-15-8-4-9-16(12-15)22-19(24)23-18-17(10-5-11-21-18)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,21,22,23,24)
InChIKey
HOQLQTPBSOVRJL-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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

patents stripe