CID 364715

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

Structural Information

Molecular Formula
C17H19NO5
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H19NO5/c1-20-13-7-5-12(6-8-13)18-17(19)11-9-14(21-2)16(23-4)15(10-11)22-3/h5-10H,1-4H3,(H,18,19)
InChIKey
BQYHECHXLBBJKB-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

317.1263 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 171.7
[M+Na]+ 340.11552 179.2
[M-H]- 316.11902 179.0
[M+NH4]+ 335.16012 186.0
[M+K]+ 356.08946 177.9
[M+H-H2O]+ 300.12356 163.1
[M+HCOO]- 362.12450 196.2
[M+CH3COO]- 376.14015 210.5
[M+Na-2H]- 338.10097 174.6
[M]+ 317.12575 178.4
[M]- 317.12685 178.4
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

patents stripe