CID 14271877

3-ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C20H23ClN2O5
SMILES
CCOC(=O)C1=C(C(=C(N=C1COCCN)C)C(=O)OC)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H23ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8H,4,9-11,22H2,1-3H3
InChIKey
APZSGEHAFPIYQZ-UHFFFAOYSA-N
Compound name
3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

178
Patents

406.12955 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.136826 194.4
[M+Na]+ 429.118768 202.2
[M-H]- 405.122274 199.6
[M+NH4]+ 424.163373 204.6
[M+K]+ 445.092708 198.1
[M+H-H2O]+ 389.126810 185.7
[M+HCOO]- 451.127751 210.7
[M+CH3COO]- 465.143401 225.9
[M+Na-2H]- 427.104216 192.7
[M]+ 406.12900142 203.0
[M]- 406.13009858 203.0
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