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]+ 333.108106 173.3
[M+Na]+ 355.090048 179.3
[M-H]- 331.093554 180.4
[M+NH4]+ 350.134653 185.7
[M+K]+ 371.063988 173.9
[M+H-H2O]+ 315.098090 169.0
[M+HCOO]- 377.099031 198.7
[M+CH3COO]- 391.114681 206.6
[M+Na-2H]- 353.075496 178.3
[M]+ 332.10028142 176.6
[M]- 332.10137858 176.6
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.