CID 2810999

688309-70-8

Structural Information

Molecular Formula
C15H15Br2N3O
SMILES
CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2=CN=CC=C2)Br
InChI
InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)
InChIKey
JFNKIJKRXKPQCC-UHFFFAOYSA-N
Compound name
1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

0
Patents

410.9582 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.96548 170.2
[M+Na]+ 433.94742 165.0
[M+NH4]+ 428.99202 171.3
[M+K]+ 449.92136 171.0
[M-H]- 409.95092 172.1
[M+Na-2H]- 431.93287 172.0
[M]+ 410.95765 168.9
[M]- 410.95875 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.