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 176.9
[M+Na]+ 402.03252 176.3
[M-H]- 378.03602 176.1
[M+NH4]+ 397.07712 188.1
[M+K]+ 418.00646 178.3
[M+H-H2O]+ 362.04056 165.7
[M+HCOO]- 424.04150 193.5
[M+CH3COO]- 438.05715 209.4
[M+Na-2H]- 400.01797 169.0
[M]+ 379.04275 173.8
[M]- 379.04385 173.8
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