CID 3064416

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

Structural Information

Molecular Formula
C19H11F3IN5O5
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)I)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C19H11F3IN5O5/c20-19(21,22)13-7-11(5-6-15(13)33-18-24-8-10(23)9-25-18)26-17(30)27-16(29)12-3-1-2-4-14(12)28(31)32/h1-9H,(H2,26,27,29,30)
InChIKey
AFOHGOXJZFHRNN-UHFFFAOYSA-N
Compound name
N-[[4-(5-iodopyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

572.9757 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.98298 214.7
[M+Na]+ 595.96492 212.4
[M-H]- 571.96842 211.1
[M+NH4]+ 591.00952 213.5
[M+K]+ 611.93886 209.8
[M+H-H2O]+ 555.97296 201.3
[M+HCOO]- 617.97390 227.3
[M+CH3COO]- 631.98955 234.4
[M+Na-2H]- 593.95037 208.6
[M]+ 572.97515 207.2
[M]- 572.97625 207.2
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