CID 5941606

378218-67-8

Structural Information

Molecular Formula
C24H25ClN2O4
SMILES
C1COCCN1CCCN2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC=CC=C4
InChI
InChI=1S/C24H25ClN2O4/c25-19-9-7-18(8-10-19)22(28)20-21(17-5-2-1-3-6-17)27(24(30)23(20)29)12-4-11-26-13-15-31-16-14-26/h1-3,5-10,21,28H,4,11-16H2/b22-20+
InChIKey
JWTOCYVSBFDTRW-LSDHQDQOSA-N
Compound name
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1503 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15758 207.3
[M+Na]+ 463.13952 211.8
[M-H]- 439.14302 215.5
[M+NH4]+ 458.18412 213.5
[M+K]+ 479.11346 205.4
[M+H-H2O]+ 423.14756 196.5
[M+HCOO]- 485.14850 214.9
[M+CH3COO]- 499.16415 214.1
[M+Na-2H]- 461.12497 201.8
[M]+ 440.14975 205.1
[M]- 440.15085 205.1
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

No patent data available for this compound.