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 180.9
[M+Na]+ 366.13119 184.5
[M-H]- 342.13469 186.8
[M+NH4]+ 361.17579 193.0
[M+K]+ 382.10513 183.0
[M+H-H2O]+ 326.13923 171.7
[M+HCOO]- 388.14017 202.9
[M+CH3COO]- 402.15582 213.0
[M+Na-2H]- 364.11664 182.4
[M]+ 343.14142 185.0
[M]- 343.14252 185.0
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