CID 1019218

N-(3,5-dimethylphenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C15H14INO
SMILES
CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2I)C
InChI
InChI=1S/C15H14INO/c1-10-7-11(2)9-12(8-10)17-15(18)13-5-3-4-6-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKey
LXZZLALCAJVBQX-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.01202 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.019296 166.1
[M+Na]+ 374.001238 166.7
[M-H]- 350.004744 165.7
[M+NH4]+ 369.045843 178.5
[M+K]+ 389.975178 168.7
[M+H-H2O]+ 334.009280 155.0
[M+HCOO]- 396.010221 184.9
[M+CH3COO]- 410.025871 205.1
[M+Na-2H]- 371.986686 158.0
[M]+ 351.01147142 163.3
[M]- 351.01256858 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe