CID 607002

3,4,5-trimethoxy-n-(3-nitrophenyl)benzamide

Structural Information

Molecular Formula
C16H16N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H16N2O6/c1-22-13-7-10(8-14(23-2)15(13)24-3)16(19)17-11-5-4-6-12(9-11)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKey
XASHOUQQWOXQNP-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

332.10083 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10811 173.6
[M+Na]+ 355.09005 186.4
[M+NH4]+ 350.13465 179.3
[M+K]+ 371.06399 183.8
[M-H]- 331.09355 178.0
[M+Na-2H]- 353.07550 180.0
[M]+ 332.10028 176.4
[M]- 332.10138 176.4
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.