CID 532160

N-(2,5-dimethoxyphenyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C15H14N2O5
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O5/c1-21-12-7-8-14(22-2)13(9-12)16-15(18)10-3-5-11(6-4-10)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKey
HUMYECVYADBLCY-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

302.09027 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 166.1
[M+Na]+ 325.07949 179.4
[M+NH4]+ 320.12409 172.7
[M+K]+ 341.05343 176.2
[M-H]- 301.08299 171.0
[M+Na-2H]- 323.06494 173.5
[M]+ 302.08972 169.2
[M]- 302.09082 169.2
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