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]+ 317.149576 173.5
[M+Na]+ 339.131518 180.3
[M-H]- 315.135024 179.0
[M+NH4]+ 334.176123 186.3
[M+K]+ 355.105458 177.9
[M+H-H2O]+ 299.139560 164.1
[M+HCOO]- 361.140501 196.6
[M+CH3COO]- 375.156151 209.7
[M+Na-2H]- 337.116966 177.2
[M]+ 316.14175142 178.9
[M]- 316.14284858 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.