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 177.5
[M+Na]+ 404.97067 176.7
[M-H]- 380.97417 177.1
[M+NH4]+ 400.01527 187.4
[M+K]+ 420.94461 175.4
[M+H-H2O]+ 364.97871 170.0
[M+HCOO]- 426.97965 197.2
[M+CH3COO]- 440.99530 203.4
[M+Na-2H]- 402.95612 170.3
[M]+ 381.98090 173.0
[M]- 381.98200 173.0
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.