CID 24208942

3,4,5-trimethoxy-n-(2-(4-pyridinyl)ethyl)benzamide

Structural Information

Molecular Formula
C17H20N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCCC2=CC=NC=C2
InChI
InChI=1S/C17H20N2O4/c1-21-14-10-13(11-15(22-2)16(14)23-3)17(20)19-9-6-12-4-7-18-8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20)
InChIKey
RVTRJKOAZINHSR-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(2-pyridin-4-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 173.5
[M+Na]+ 339.13152 180.3
[M-H]- 315.13502 179.0
[M+NH4]+ 334.17612 186.3
[M+K]+ 355.10546 177.9
[M+H-H2O]+ 299.13956 164.1
[M+HCOO]- 361.14050 196.6
[M+CH3COO]- 375.15615 209.7
[M+Na-2H]- 337.11697 177.2
[M]+ 316.14175 178.9
[M]- 316.14285 178.9
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.