CID 361500

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

Structural Information

Molecular Formula
C19H11ClF3N5O5
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C19H11ClF3N5O5/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
ICDRYYPOSXDURK-UHFFFAOYSA-N
Compound name
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

481.04007 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.04735 199.6
[M+Na]+ 504.02929 205.1
[M-H]- 480.03279 203.2
[M+NH4]+ 499.07389 203.0
[M+K]+ 520.00323 195.7
[M+H-H2O]+ 464.03733 190.9
[M+HCOO]- 526.03827 213.3
[M+CH3COO]- 540.05392 229.5
[M+Na-2H]- 502.01474 205.7
[M]+ 481.03952 197.5
[M]- 481.04062 197.5
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