CID 83264

Einecs 236-233-1

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CCOC(=O)C(=CNC1=CC=CC(=N1)C)C(=O)OCC
InChI
InChI=1S/C14H18N2O4/c1-4-19-13(17)11(14(18)20-5-2)9-15-12-8-6-7-10(3)16-12/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKey
IAXFBMUDERBERN-UHFFFAOYSA-N
Compound name
diethyl 2-[[(6-methylpyridin-2-yl)amino]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

53
Patents

278.12665 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 164.4
[M+Na]+ 301.11587 169.8
[M-H]- 277.11937 166.3
[M+NH4]+ 296.16047 178.6
[M+K]+ 317.08981 168.4
[M+H-H2O]+ 261.12391 156.5
[M+HCOO]- 323.12485 185.6
[M+CH3COO]- 337.14050 201.3
[M+Na-2H]- 299.10132 166.1
[M]+ 278.12610 167.8
[M]- 278.12720 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe