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 204.3
[M+Na]+ 547.97878 211.1
[M-H]- 523.98228 210.1
[M+NH4]+ 543.02338 209.1
[M+K]+ 563.95272 195.0
[M+H-H2O]+ 507.98682 200.4
[M+HCOO]- 569.98776 219.9
[M+CH3COO]- 584.00341 232.8
[M+Na-2H]- 545.96423 210.9
[M]+ 524.98901 218.4
[M]- 524.99011 218.4
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