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]+ 309.055576 168.9
[M+Na]+ 331.037518 176.5
[M-H]- 307.041024 174.6
[M+NH4]+ 326.082123 184.4
[M+K]+ 347.011458 169.6
[M+H-H2O]+ 291.045560 162.5
[M+HCOO]- 353.046501 184.7
[M+CH3COO]- 367.062151 205.9
[M+Na-2H]- 329.022966 173.0
[M]+ 308.04775142 171.3
[M]- 308.04884858 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.