CID 1379188

N-(4-iodophenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C14H11IN2O3
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)I
InChI
InChI=1S/C14H11IN2O3/c1-9-12(3-2-4-13(9)17(19)20)14(18)16-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,18)
InChIKey
OQYMTQKQOFSTQB-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-2-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

381.98145 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.98873 178.4
[M+Na]+ 404.97067 184.4
[M+NH4]+ 400.01527 181.5
[M+K]+ 420.94461 182.9
[M-H]- 380.97417 177.6
[M+Na-2H]- 402.95612 172.9
[M]+ 381.98090 177.8
[M]- 381.98200 177.8
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

No patent data available for this compound.