CID 2313092

1,3-diethyl 2-{[(pyridin-3-yl)amino]methylidene}propanedioate

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

36
Patents

264.111 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 160.3
[M+Na]+ 287.100218 165.1
[M-H]- 263.103724 162.0
[M+NH4]+ 282.144823 174.8
[M+K]+ 303.074158 164.0
[M+H-H2O]+ 247.108260 152.3
[M+HCOO]- 309.109201 181.8
[M+CH3COO]- 323.124851 197.1
[M+Na-2H]- 285.085666 163.2
[M]+ 264.11045142 162.9
[M]- 264.11154858 162.9
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