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 172.6
[M+Na]+ 343.12642 178.5
[M-H]- 319.12992 179.0
[M+NH4]+ 338.17102 185.8
[M+K]+ 359.10036 177.7
[M+H-H2O]+ 303.13446 163.1
[M+HCOO]- 365.13540 195.0
[M+CH3COO]- 379.15105 210.0
[M+Na-2H]- 341.11187 175.5
[M]+ 320.13665 177.2
[M]- 320.13775 177.2
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.