CID 3003591

3-morpholin-4-ylmethylene-1,5-diphenyl-pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C21H20N2O3
SMILES
C1COCCN1/C=C\2/C(=O)C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2O3/c24-20-18(15-22-11-13-26-14-12-22)21(25)23(17-9-5-2-6-10-17)19(20)16-7-3-1-4-8-16/h1-10,15,19H,11-14H2/b18-15-
InChIKey
RGUYNKZWPSXBTA-SDXDJHTJSA-N
Compound name
(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 183.9
[M+Na]+ 371.13662 189.2
[M-H]- 347.14012 193.7
[M+NH4]+ 366.18122 193.5
[M+K]+ 387.11056 184.2
[M+H-H2O]+ 331.14466 172.8
[M+HCOO]- 393.14560 199.5
[M+CH3COO]- 407.16125 193.0
[M+Na-2H]- 369.12207 182.4
[M]+ 348.14685 178.8
[M]- 348.14795 178.8
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

No patent data available for this compound.