CID 9588813

121750-70-7

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]+ 321.144476 172.6
[M+Na]+ 343.126418 178.5
[M-H]- 319.129924 179.0
[M+NH4]+ 338.171023 185.8
[M+K]+ 359.100358 177.7
[M+H-H2O]+ 303.134460 163.1
[M+HCOO]- 365.135401 195.0
[M+CH3COO]- 379.151051 210.0
[M+Na-2H]- 341.111866 175.5
[M]+ 320.13665142 177.2
[M]- 320.13774858 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.