CID 2856113

1-(2-ethoxy-phenyl)-3-(hydroxy-phenyl-amino)-pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C18H18N2O4
SMILES
CCOC1=CC=CC=C1N2C(=O)CC(C2=O)N(C3=CC=CC=C3)O
InChI
InChI=1S/C18H18N2O4/c1-2-24-16-11-7-6-10-14(16)19-17(21)12-15(18(19)22)20(23)13-8-4-3-5-9-13/h3-11,15,23H,2,12H2,1H3
InChIKey
OEYJYVYTFSKKEI-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

45
Patents

326.12665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 173.9
[M+Na]+ 349.11587 180.3
[M-H]- 325.11937 182.7
[M+NH4]+ 344.16047 187.6
[M+K]+ 365.08981 177.1
[M+H-H2O]+ 309.12391 164.7
[M+HCOO]- 371.12485 196.0
[M+CH3COO]- 385.14050 210.4
[M+Na-2H]- 347.10132 174.4
[M]+ 326.12610 174.7
[M]- 326.12720 174.7
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