CID 724297

127627-28-5

Structural Information

Molecular Formula
C13H12ClN3O
SMILES
CC1=NC(=CC=C1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H12ClN3O/c1-9-4-2-7-12(15-9)17-13(18)16-11-6-3-5-10(14)8-11/h2-8H,1H3,(H2,15,16,17,18)
InChIKey
MEPARACOEVQCIE-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(6-methyl-2-pyridinyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0669 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.074176 157.3
[M+Na]+ 284.056118 165.4
[M-H]- 260.059624 162.9
[M+NH4]+ 279.100723 173.0
[M+K]+ 300.030058 160.1
[M+H-H2O]+ 244.064160 149.6
[M+HCOO]- 306.065101 177.6
[M+CH3COO]- 320.080751 198.3
[M+Na-2H]- 282.041566 163.6
[M]+ 261.06635142 158.1
[M]- 261.06744858 158.1
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.