CID 342499

Mls000757144

Structural Information

Molecular Formula
C13H11Cl2N3O
SMILES
CC1=NC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H11Cl2N3O/c1-8-5-6-9(7-16-8)17-13(19)18-12-10(14)3-2-4-11(12)15/h2-7H,1H3,(H2,17,18,19)
InChIKey
UGOAVFCPVAZKHK-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-(6-methylpyridin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

295.02792 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03520 163.7
[M+Na]+ 318.01714 173.0
[M-H]- 294.02064 168.8
[M+NH4]+ 313.06174 178.7
[M+K]+ 333.99108 166.6
[M+H-H2O]+ 278.02518 156.8
[M+HCOO]- 340.02612 178.8
[M+CH3COO]- 354.04177 203.8
[M+Na-2H]- 316.00259 168.4
[M]+ 295.02737 166.2
[M]- 295.02847 166.2
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.