CID 45051173

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

Structural Information

Molecular Formula
C13H12ClN3O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=C(C=CC=N2)O)Cl
InChI
InChI=1S/C13H12ClN3O2/c1-8-4-5-9(7-10(8)14)16-13(19)17-12-11(18)3-2-6-15-12/h2-7,18H,1H3,(H2,15,16,17,19)
InChIKey
ONKVCOMIXULIMO-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(3-hydroxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0618 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06908 160.9
[M+Na]+ 300.05102 174.5
[M+NH4]+ 295.09562 168.2
[M+K]+ 316.02496 167.7
[M-H]- 276.05452 164.9
[M+Na-2H]- 298.03647 169.1
[M]+ 277.06125 164.1
[M]- 277.06235 164.1
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.