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

459
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 176.6
[M-H]- 306.13469 175.1
[M+NH4]+ 325.17579 186.5
[M+K]+ 346.10513 175.6
[M+H-H2O]+ 290.13923 164.6
[M+HCOO]- 352.14017 194.3
[M+CH3COO]- 366.15582 206.8
[M+Na-2H]- 328.11664 172.8
[M]+ 307.14142 177.3
[M]- 307.14252 177.3
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