CID 3064415

Benzamide, n-(((4-((5-bromo-2-pyrimidinyl)oxy)-3-(trifluoromethyl)phenyl)amino)carbonyl)-2-nitro-

Structural Information

Molecular Formula
C19H11BrF3N5O5
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C19H11BrF3N5O5/c20-10-8-24-18(25-9-10)33-15-6-5-11(7-13(15)19(21,22)23)26-17(30)27-16(29)12-3-1-2-4-14(12)28(31)32/h1-9H,(H2,26,27,29,30)
InChIKey
BAVQPFDJQVONSP-UHFFFAOYSA-N
Compound name
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

524.98956 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.99684 199.0
[M+Na]+ 547.97878 199.6
[M+NH4]+ 543.02338 197.9
[M+K]+ 563.95272 203.4
[M-H]- 523.98228 197.9
[M+Na-2H]- 545.96423 201.3
[M]+ 524.98901 197.2
[M]- 524.99011 197.2
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

patents stripe