CID 3063705

Brn 5637960

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CCOC(=O)C1=CC(=CN=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H20N2O6/c1-5-26-18(22)12-6-13(10-19-9-12)20-17(21)11-7-14(23-2)16(25-4)15(8-11)24-3/h6-10H,5H2,1-4H3,(H,20,21)
InChIKey
PHGYUYMZFFLPGN-UHFFFAOYSA-N
Compound name
ethyl 5-[(3,4,5-trimethoxybenzoyl)amino]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.13214 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13942 183.1
[M+Na]+ 383.12136 194.6
[M+NH4]+ 378.16596 187.4
[M+K]+ 399.09530 190.2
[M-H]- 359.12486 184.8
[M+Na-2H]- 381.10681 188.5
[M]+ 360.13159 184.9
[M]- 360.13269 184.9
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.