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]+ 361.139416 182.0
[M+Na]+ 383.121358 188.8
[M-H]- 359.124864 187.8
[M+NH4]+ 378.165963 192.9
[M+K]+ 399.095298 187.7
[M+H-H2O]+ 343.129400 172.3
[M+HCOO]- 405.130341 204.2
[M+CH3COO]- 419.145991 217.9
[M+Na-2H]- 381.106806 183.6
[M]+ 360.13159142 189.5
[M]- 360.13268858 189.5
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.