CID 742650

1-(3,4-dichlorophenyl)-3-phenethylurea

Structural Information

Molecular Formula
C15H14Cl2N2O
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H14Cl2N2O/c16-13-7-6-12(10-14(13)17)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKey
UBHGPRKDMGPKQX-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0483 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05558 168.9
[M+Na]+ 331.03752 176.5
[M-H]- 307.04102 174.6
[M+NH4]+ 326.08212 184.4
[M+K]+ 347.01146 169.6
[M+H-H2O]+ 291.04556 162.5
[M+HCOO]- 353.04650 184.7
[M+CH3COO]- 367.06215 205.9
[M+Na-2H]- 329.02297 173.0
[M]+ 308.04775 171.3
[M]- 308.04885 171.3
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.