CID 4569081

3-(2-chlorophenyl)-1-methyl-1-phenylurea

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C14H13ClN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h2-10H,1H3,(H,16,18)
InChIKey
DNOMOHDPTSZRCW-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1-methyl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07166 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07894 157.9
[M+Na]+ 283.06088 164.8
[M-H]- 259.06438 165.8
[M+NH4]+ 278.10548 175.3
[M+K]+ 299.03482 160.7
[M+H-H2O]+ 243.06892 150.6
[M+HCOO]- 305.06986 179.7
[M+CH3COO]- 319.08551 200.8
[M+Na-2H]- 281.04633 163.4
[M]+ 260.07111 159.5
[M]- 260.07221 159.5
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.