CID 5732102

381199-47-9

Structural Information

Molecular Formula
C24H27N3O4
SMILES
CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O
InChI
InChI=1S/C24H27N3O4/c1-17-3-5-19(6-4-17)22(28)20-21(18-7-9-25-10-8-18)27(24(30)23(20)29)12-2-11-26-13-15-31-16-14-26/h3-10,21,28H,2,11-16H2,1H3/b22-20+
InChIKey
ORQQXLHBKBOREY-LSDHQDQOSA-N
Compound name
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.20016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.207436 204.2
[M+Na]+ 444.189378 207.9
[M-H]- 420.192884 211.3
[M+NH4]+ 439.233983 208.8
[M+K]+ 460.163318 202.6
[M+H-H2O]+ 404.197420 192.3
[M+HCOO]- 466.198361 215.0
[M+CH3COO]- 480.214011 223.8
[M+Na-2H]- 442.174826 199.1
[M]+ 421.19961142 200.1
[M]- 421.20070858 200.1
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.