CID 678080

3,4,5-trimethoxy-n-3-pyridylbenzamide

Structural Information

Molecular Formula
C15H16N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CN=CC=C2
InChI
InChI=1S/C15H16N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h4-9H,1-3H3,(H,17,18)
InChIKey
PGTYKYABUDWSST-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

288.111 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.118276 164.4
[M+Na]+ 311.100218 172.1
[M-H]- 287.103724 170.3
[M+NH4]+ 306.144823 178.4
[M+K]+ 327.074158 170.1
[M+H-H2O]+ 271.108260 155.4
[M+HCOO]- 333.109201 188.1
[M+CH3COO]- 347.124851 203.8
[M+Na-2H]- 309.085666 169.1
[M]+ 288.11045142 169.0
[M]- 288.11154858 169.0
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