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]+ 291.089476 165.2
[M+Na]+ 313.071418 172.3
[M-H]- 289.074924 171.9
[M+NH4]+ 308.116023 181.0
[M+K]+ 329.045358 167.4
[M+H-H2O]+ 273.079460 157.9
[M+HCOO]- 335.080401 186.4
[M+CH3COO]- 349.096051 203.7
[M+Na-2H]- 311.056866 170.3
[M]+ 290.08165142 167.7
[M]- 290.08274858 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