CID 1570599

Diethyl 2-[(4-hydroxyanilino)methylidene]malonate

Structural Information

Molecular Formula
C14H17NO5
SMILES
CCOC(=O)C(=CNC1=CC=C(C=C1)O)C(=O)OCC
InChI
InChI=1S/C14H17NO5/c1-3-19-13(17)12(14(18)20-4-2)9-15-10-5-7-11(16)8-6-10/h5-9,15-16H,3-4H2,1-2H3
InChIKey
AROVANTVZUUXKG-UHFFFAOYSA-N
Compound name
diethyl 2-[(4-hydroxyanilino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

279.1107 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 163.5
[M+Na]+ 302.09992 168.3
[M-H]- 278.10342 165.3
[M+NH4]+ 297.14452 178.2
[M+K]+ 318.07386 166.8
[M+H-H2O]+ 262.10796 156.5
[M+HCOO]- 324.10890 184.6
[M+CH3COO]- 338.12455 198.4
[M+Na-2H]- 300.08537 164.6
[M]+ 279.11015 165.9
[M]- 279.11125 165.9
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