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

177
Patents

406.12955 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13683 194.4
[M+Na]+ 429.11877 202.2
[M-H]- 405.12227 199.6
[M+NH4]+ 424.16337 204.6
[M+K]+ 445.09271 198.1
[M+H-H2O]+ 389.12681 185.7
[M+HCOO]- 451.12775 210.7
[M+CH3COO]- 465.14340 225.9
[M+Na-2H]- 427.10422 192.7
[M]+ 406.12900 203.0
[M]- 406.13010 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.