CID 1817552

N-(4-butylphenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C17H18INO
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C17H18INO/c1-2-3-6-13-9-11-14(12-10-13)19-17(20)15-7-4-5-8-16(15)18/h4-5,7-12H,2-3,6H2,1H3,(H,19,20)
InChIKey
QHSCDHGYYSDKNB-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0433 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05058 176.9
[M+Na]+ 402.03252 175.7
[M-H]- 378.03602 175.7
[M+NH4]+ 397.07712 187.8
[M+K]+ 418.00646 177.1
[M+H-H2O]+ 362.04056 165.0
[M+HCOO]- 424.04150 194.9
[M+CH3COO]- 438.05715 209.6
[M+Na-2H]- 400.01797 168.2
[M]+ 379.04275 174.2
[M]- 379.04385 174.2
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

No patent data available for this compound.