CID 424007

Urea, 1-(2-biphenylyl)-3-(2-chloroethyl)-

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)NCCCl
InChI
InChI=1S/C15H15ClN2O/c16-10-11-17-15(19)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,19)
InChIKey
LRYHHSMHRHLJER-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2-phenylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08728 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.094556 162.1
[M+Na]+ 297.076498 168.5
[M-H]- 273.080004 168.4
[M+NH4]+ 292.121103 178.3
[M+K]+ 313.050438 162.8
[M+H-H2O]+ 257.084540 154.9
[M+HCOO]- 319.085481 183.1
[M+CH3COO]- 333.101131 200.4
[M+Na-2H]- 295.061946 167.9
[M]+ 274.08673142 162.8
[M]- 274.08782858 162.8
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

No patent data available for this compound.