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 168.3
[M+Na]+ 433.94742 176.2
[M-H]- 409.95092 175.8
[M+NH4]+ 428.99202 181.8
[M+K]+ 449.92136 159.8
[M+H-H2O]+ 393.95546 173.1
[M+HCOO]- 455.95640 183.2
[M+CH3COO]- 469.97205 223.4
[M+Na-2H]- 431.93287 172.5
[M]+ 410.95765 201.0
[M]- 410.95875 201.0
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.