CID 40672

Pan-w-5

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCOC(=O)C1=C(N(C(=C(C1C2=CC=NC=C2)C(=O)OCC)C)C)C
InChI
InChI=1S/C19H24N2O4/c1-6-24-18(22)15-12(3)21(5)13(4)16(19(23)25-7-2)17(15)14-8-10-20-11-9-14/h8-11,17H,6-7H2,1-5H3
InChIKey
FBJZZZNHVBUJRV-UHFFFAOYSA-N
Compound name
diethyl 1,2,6-trimethyl-4-pyridin-4-yl-4H-pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

344.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 181.9
[M+Na]+ 367.16282 189.7
[M-H]- 343.16632 186.3
[M+NH4]+ 362.20742 193.1
[M+K]+ 383.13676 186.9
[M+H-H2O]+ 327.17086 172.6
[M+HCOO]- 389.17180 199.7
[M+CH3COO]- 403.18745 215.7
[M+Na-2H]- 365.14827 180.8
[M]+ 344.17305 187.3
[M]- 344.17415 187.3
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.