CID 5129458

1-benzyl-3-(2-chlorophenyl)urea

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C14H13ClN2O/c15-12-8-4-5-9-13(12)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18)
InChIKey
ULVQICRGVOWPPD-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

260.07166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07894 158.5
[M+Na]+ 283.06088 172.4
[M+NH4]+ 278.10548 167.5
[M+K]+ 299.03482 163.9
[M-H]- 259.06438 164.2
[M+Na-2H]- 281.04633 168.4
[M]+ 260.07111 162.4
[M]- 260.07221 162.4
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

patents stripe