CID 6467541

N-(3-chloro-4-methylphenyl)-n'-(4-methyl-2-pyridinyl)urea

Structural Information

Molecular Formula
C14H14ClN3O
SMILES
CC1=CC(=NC=C1)NC(=O)NC2=CC(=C(C=C2)C)Cl
InChI
InChI=1S/C14H14ClN3O/c1-9-5-6-16-13(7-9)18-14(19)17-11-4-3-10(2)12(15)8-11/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKey
VDBIBMKIFRIXAB-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(4-methylpyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.08255 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08983 162.3
[M+Na]+ 298.07177 170.9
[M-H]- 274.07527 168.1
[M+NH4]+ 293.11637 177.7
[M+K]+ 314.04571 165.4
[M+H-H2O]+ 258.07981 154.6
[M+HCOO]- 320.08075 182.3
[M+CH3COO]- 334.09640 202.5
[M+Na-2H]- 296.05722 167.3
[M]+ 275.08200 163.8
[M]- 275.08310 163.8
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.