CID 295134

1-(3-chloro-4-methylphenyl)-3-phenylurea

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c1-10-7-8-12(9-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
InChIKey
AOXXRHPZPFAKHI-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

260.07166 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07894 157.8
[M+Na]+ 283.06088 165.6
[M-H]- 259.06438 164.7
[M+NH4]+ 278.10548 175.0
[M+K]+ 299.03482 160.2
[M+H-H2O]+ 243.06892 151.0
[M+HCOO]- 305.06986 179.2
[M+CH3COO]- 319.08551 198.6
[M+Na-2H]- 281.04633 163.4
[M]+ 260.07111 158.6
[M]- 260.07221 158.6
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