CID 2267551

103976-28-9

Structural Information

Molecular Formula
C16H21NO5
SMILES
CCOC1=CC=C(C=C1)NC=C(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C16H21NO5/c1-4-20-13-9-7-12(8-10-13)17-11-14(15(18)21-5-2)16(19)22-6-3/h7-11,17H,4-6H2,1-3H3
InChIKey
WQQOKAKJKDTIBY-UHFFFAOYSA-N
Compound name
diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

307.14197 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 172.3
[M+Na]+ 330.13119 180.6
[M+NH4]+ 325.17579 176.7
[M+K]+ 346.10513 176.4
[M-H]- 306.13469 171.7
[M+Na-2H]- 328.11664 175.0
[M]+ 307.14142 172.8
[M]- 307.14252 172.8
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