CID 6068305

3-hydroxy-4-(4-methylbenzoyl)-5-(5-methyl-2-furyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(O4)C)/O
InChI
InChI=1S/C23H26N2O5/c1-15-3-6-17(7-4-15)21(26)19-20(18-8-5-16(2)30-18)25(23(28)22(19)27)10-9-24-11-13-29-14-12-24/h3-8,20,26H,9-14H2,1-2H3/b21-19-
InChIKey
XELTUKYKJOYEOE-VZCXRCSSSA-N
Compound name
(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18417 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 199.3
[M+Na]+ 433.17339 204.3
[M-H]- 409.17689 209.4
[M+NH4]+ 428.21799 206.8
[M+K]+ 449.14733 201.3
[M+H-H2O]+ 393.18143 190.8
[M+HCOO]- 455.18237 212.0
[M+CH3COO]- 469.19802 222.0
[M+Na-2H]- 431.15884 192.3
[M]+ 410.18362 198.0
[M]- 410.18472 198.0
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.