CID 622585

Diethyl 2-[(1-naphthylamino)methylene]malonate

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCOC(=O)C(=CNC1=CC=CC2=CC=CC=C21)C(=O)OCC
InChI
InChI=1S/C18H19NO4/c1-3-22-17(20)15(18(21)23-4-2)12-19-16-11-7-9-13-8-5-6-10-14(13)16/h5-12,19H,3-4H2,1-2H3
InChIKey
ZBUCXHYSVWESIY-UHFFFAOYSA-N
Compound name
diethyl 2-[(naphthalen-1-ylamino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 173.4
[M+Na]+ 336.120618 178.2
[M-H]- 312.124124 177.1
[M+NH4]+ 331.165223 188.3
[M+K]+ 352.094558 175.5
[M+H-H2O]+ 296.128660 165.7
[M+HCOO]- 358.129601 194.2
[M+CH3COO]- 372.145251 208.3
[M+Na-2H]- 334.106066 176.2
[M]+ 313.13085142 176.4
[M]- 313.13194858 176.4
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

No patent data available for this compound.