CID 581440

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

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CC1=CC=CC=C1NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c1-10-5-2-3-8-13(10)17-14(18)16-12-7-4-6-11(15)9-12/h2-9H,1H3,(H2,16,17,18)
InChIKey
IDGNXQJMJWHJHE-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.07166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07894 158.3
[M+Na]+ 283.06088 172.6
[M+NH4]+ 278.10548 167.3
[M+K]+ 299.03482 164.3
[M-H]- 259.06438 164.1
[M+Na-2H]- 281.04633 168.0
[M]+ 260.07111 162.3
[M]- 260.07221 162.3
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

patents stripe