CID 4150009

1-[(4-chlorophenyl)methyl]-3-phenylurea

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c15-12-8-6-11(7-9-12)10-16-14(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,17,18)
InChIKey
UETXSOOZNOAPLV-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

260.07166 Da
Monoisotopic Mass

3.0
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

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