CID 1309187

N-(2-tert-butylphenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C17H18INO
SMILES
CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C17H18INO/c1-17(2,3)13-9-5-7-11-15(13)19-16(20)12-8-4-6-10-14(12)18/h4-11H,1-3H3,(H,19,20)
InChIKey
VICYNLOURFRKAC-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

379.0433 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05058 179.6
[M+Na]+ 402.03252 185.0
[M+NH4]+ 397.07712 183.3
[M+K]+ 418.00646 180.8
[M-H]- 378.03602 177.7
[M+Na-2H]- 400.01797 175.0
[M]+ 379.04275 178.9
[M]- 379.04385 178.9
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