CID 295273

1-(2-chlorophenyl)-3-(4-ethoxyphenyl)urea

Structural Information

Molecular Formula
C15H15ClN2O2
SMILES
CCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C15H15ClN2O2/c1-2-20-12-9-7-11(8-10-12)17-15(19)18-14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H2,17,18,19)
InChIKey
BTMHSPLQVDKVFU-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.0822 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08948 165.2
[M+Na]+ 313.07142 172.3
[M-H]- 289.07492 171.9
[M+NH4]+ 308.11602 181.0
[M+K]+ 329.04536 167.4
[M+H-H2O]+ 273.07946 157.9
[M+HCOO]- 335.08040 186.4
[M+CH3COO]- 349.09605 203.7
[M+Na-2H]- 311.05687 170.3
[M]+ 290.08165 167.7
[M]- 290.08275 167.7
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