CID 295294

1-(4-chlorophenyl)-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C14H13ClN2O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O2/c1-19-13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
InChIKey
QJNLZHXJKUTIJY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

276.06656 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07384 160.6
[M+Na]+ 299.05578 168.2
[M-H]- 275.05928 167.5
[M+NH4]+ 294.10038 177.0
[M+K]+ 315.02972 163.4
[M+H-H2O]+ 259.06382 153.5
[M+HCOO]- 321.06476 182.2
[M+CH3COO]- 335.08041 200.7
[M+Na-2H]- 297.04123 166.2
[M]+ 276.06601 162.7
[M]- 276.06711 162.7
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