CID 6467541

853319-26-3

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-methyl-2-pyridinyl)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]+ 276.089826 162.3
[M+Na]+ 298.071768 170.9
[M-H]- 274.075274 168.1
[M+NH4]+ 293.116373 177.7
[M+K]+ 314.045708 165.4
[M+H-H2O]+ 258.079810 154.6
[M+HCOO]- 320.080751 182.3
[M+CH3COO]- 334.096401 202.5
[M+Na-2H]- 296.057216 167.3
[M]+ 275.08200142 163.8
[M]- 275.08309858 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.