CID 5954515

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

Structural Information

Molecular Formula
C27H33N3O5
SMILES
CC1=C(C=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CN=CC=C4)/O)OC(C)C
InChI
InChI=1S/C27H33N3O5/c1-18(2)35-22-8-7-20(16-19(22)3)25(31)23-24(21-6-4-9-28-17-21)30(27(33)26(23)32)11-5-10-29-12-14-34-15-13-29/h4,6-9,16-18,24,31H,5,10-15H2,1-3H3/b25-23-
InChIKey
ZCMDZRKGOGOHAH-BZZOAKBMSA-N
Compound name
(4Z)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.24203 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.249306 218.9
[M+Na]+ 502.231248 221.5
[M-H]- 478.234754 225.9
[M+NH4]+ 497.275853 221.1
[M+K]+ 518.205188 217.1
[M+H-H2O]+ 462.239290 207.0
[M+HCOO]- 524.240231 227.8
[M+CH3COO]- 538.255881 237.0
[M+Na-2H]- 500.216696 211.0
[M]+ 479.24148142 217.0
[M]- 479.24257858 217.0
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.