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]+ 314.13868 173.4
[M+Na]+ 336.12062 178.2
[M-H]- 312.12412 177.1
[M+NH4]+ 331.16522 188.3
[M+K]+ 352.09456 175.5
[M+H-H2O]+ 296.12866 165.7
[M+HCOO]- 358.12960 194.2
[M+CH3COO]- 372.14525 208.3
[M+Na-2H]- 334.10607 176.2
[M]+ 313.13085 176.4
[M]- 313.13195 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.