CID 619151

Diethyl 2-{[(6-methoxypyridin-3-yl)amino]methylene}malonate

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CCOC(=O)C(=CNC1=CN=C(C=C1)OC)C(=O)OCC
InChI
InChI=1S/C14H18N2O5/c1-4-20-13(17)11(14(18)21-5-2)9-15-10-6-7-12(19-3)16-8-10/h6-9,15H,4-5H2,1-3H3
InChIKey
FJDMNLFVZHBIHR-UHFFFAOYSA-N
Compound name
diethyl 2-[[(6-methoxypyridin-3-yl)amino]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

294.12158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 166.8
[M+Na]+ 317.11080 172.0
[M-H]- 293.11430 168.6
[M+NH4]+ 312.15540 180.2
[M+K]+ 333.08474 171.3
[M+H-H2O]+ 277.11884 158.6
[M+HCOO]- 339.11978 188.2
[M+CH3COO]- 353.13543 203.5
[M+Na-2H]- 315.09625 168.7
[M]+ 294.12103 171.6
[M]- 294.12213 171.6
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

patents stripe