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 182.0
[M+Na]+ 383.12136 188.8
[M-H]- 359.12486 187.8
[M+NH4]+ 378.16596 192.9
[M+K]+ 399.09530 187.7
[M+H-H2O]+ 343.12940 172.3
[M+HCOO]- 405.13034 204.2
[M+CH3COO]- 419.14599 217.9
[M+Na-2H]- 381.10681 183.6
[M]+ 360.13159 189.5
[M]- 360.13269 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.