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]+ 441.157576 207.3
[M+Na]+ 463.139518 211.8
[M-H]- 439.143024 215.5
[M+NH4]+ 458.184123 213.5
[M+K]+ 479.113458 205.4
[M+H-H2O]+ 423.147560 196.5
[M+HCOO]- 485.148501 214.9
[M+CH3COO]- 499.164151 214.1
[M+Na-2H]- 461.124966 201.8
[M]+ 440.14975142 205.1
[M]- 440.15084858 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.