CID 9588813

Brn 5826538

Structural Information

Molecular Formula
C16H20N2O5
SMILES
COC1=C(C=C(C=C1)OC(=O)N2CCC=C(C2)/C=N/OC)OC
InChI
InChI=1S/C16H20N2O5/c1-20-14-7-6-13(9-15(14)21-2)23-16(19)18-8-4-5-12(11-18)10-17-22-3/h5-7,9-10H,4,8,11H2,1-3H3/b17-10+
InChIKey
KPOOBKIMNVCIAF-LICLKQGHSA-N
Compound name
(3,4-dimethoxyphenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 173.7
[M+Na]+ 343.12642 184.9
[M+NH4]+ 338.17102 179.3
[M+K]+ 359.10036 179.4
[M-H]- 319.12992 176.2
[M+Na-2H]- 341.11187 179.4
[M]+ 320.13665 175.7
[M]- 320.13775 175.7
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.