CID 710798

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

302.09027 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 165.9
[M+Na]+ 325.07949 171.8
[M-H]- 301.08299 173.0
[M+NH4]+ 320.12409 179.5
[M+K]+ 341.05343 165.8
[M+H-H2O]+ 285.08753 162.0
[M+HCOO]- 347.08847 191.6
[M+CH3COO]- 361.10412 200.2
[M+Na-2H]- 323.06494 171.8
[M]+ 302.08972 167.2
[M]- 302.09082 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.