CID 86061968

((4-phenoxyphenyl)amino)diethyl malonate

Structural Information

Molecular Formula
C19H21NO5
SMILES
CCOC(=O)C(C(=O)OCC)NC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C19H21NO5/c1-3-23-18(21)17(19(22)24-4-2)20-14-10-12-16(13-11-14)25-15-8-6-5-7-9-15/h5-13,17,20H,3-4H2,1-2H3
InChIKey
DFEJFHWORVOJFQ-UHFFFAOYSA-N
Compound name
diethyl 2-(4-phenoxyanilino)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.14197 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14925 180.7
[M+Na]+ 366.13119 191.3
[M+NH4]+ 361.17579 186.2
[M+K]+ 382.10513 186.0
[M-H]- 342.13469 183.3
[M+Na-2H]- 364.11664 187.1
[M]+ 343.14142 182.7
[M]- 343.14252 182.7
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