CID 785387

N-(2,6-dimethylphenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O3/c1-10-5-3-6-11(2)14(10)16-15(18)12-7-4-8-13(9-12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKey
REVIHAXJENUXBF-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

270.10043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 159.8
[M+Na]+ 293.08965 166.2
[M-H]- 269.09315 166.9
[M+NH4]+ 288.13425 175.0
[M+K]+ 309.06359 159.0
[M+H-H2O]+ 253.09769 156.6
[M+HCOO]- 315.09863 185.3
[M+CH3COO]- 329.11428 195.9
[M+Na-2H]- 291.07510 165.4
[M]+ 270.09988 158.5
[M]- 270.10098 158.5
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.