CID 16429009

3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-5-(2-thienyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H32N2O5S
SMILES
CC1=C(C=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CS4)/O)OC(C)C
InChI
InChI=1S/C26H32N2O5S/c1-17(2)33-20-8-7-19(16-18(20)3)24(29)22-23(21-6-4-15-34-21)28(26(31)25(22)30)10-5-9-27-11-13-32-14-12-27/h4,6-8,15-17,23,29H,5,9-14H2,1-3H3/b24-22-
InChIKey
JDEDOSUNVYXYEH-GYHWCHFESA-N
Compound name
(4Z)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.2032 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21048 218.1
[M+Na]+ 507.19242 221.5
[M-H]- 483.19592 227.3
[M+NH4]+ 502.23702 224.7
[M+K]+ 523.16636 217.7
[M+H-H2O]+ 467.20046 210.3
[M+HCOO]- 529.20140 225.5
[M+CH3COO]- 543.21705 234.4
[M+Na-2H]- 505.17787 207.0
[M]+ 484.20265 219.4
[M]- 484.20375 219.4
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.