CID 2313092

14029-71-1

Structural Information

Molecular Formula
C13H16N2O4
SMILES
CCOC(=O)C(=CNC1=CN=CC=C1)C(=O)OCC
InChI
InChI=1S/C13H16N2O4/c1-3-18-12(16)11(13(17)19-4-2)9-15-10-6-5-7-14-8-10/h5-9,15H,3-4H2,1-2H3
InChIKey
GFMRKZNYVTWEIY-UHFFFAOYSA-N
Compound name
diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

264.111 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 160.5
[M+Na]+ 287.10022 169.3
[M+NH4]+ 282.14482 165.1
[M+K]+ 303.07416 165.2
[M-H]- 263.10372 159.6
[M+Na-2H]- 285.08567 164.1
[M]+ 264.11045 160.9
[M]- 264.11155 160.9
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