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]+ 349.154676 183.9
[M+Na]+ 371.136618 189.2
[M-H]- 347.140124 193.7
[M+NH4]+ 366.181223 193.5
[M+K]+ 387.110558 184.2
[M+H-H2O]+ 331.144660 172.8
[M+HCOO]- 393.145601 199.5
[M+CH3COO]- 407.161251 193.0
[M+Na-2H]- 369.122066 182.4
[M]+ 348.14685142 178.8
[M]- 348.14794858 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.