CID 615891

N-(4-ethylphenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C15H14INO
SMILES
CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C15H14INO/c1-2-11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3,(H,17,18)
InChIKey
QKXGAARXJWAVDZ-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.01202 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.01930 167.1
[M+Na]+ 374.00124 166.8
[M-H]- 350.00474 166.3
[M+NH4]+ 369.04584 179.2
[M+K]+ 389.97518 168.7
[M+H-H2O]+ 334.00928 155.7
[M+HCOO]- 396.01022 185.9
[M+CH3COO]- 410.02587 204.0
[M+Na-2H]- 371.98669 159.6
[M]+ 351.01147 163.9
[M]- 351.01257 163.9
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

No patent data available for this compound.