CID 3828546

1-[3-(dimethylamino)propyl]-4-(2-furoyl)-3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H34N2O6
SMILES
CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)C3=CC=CO3)OC
InChI
InChI=1S/C26H34N2O6/c1-17(2)11-15-34-19-10-9-18(16-21(19)32-5)23-22(24(29)20-8-6-14-33-20)25(30)26(31)28(23)13-7-12-27(3)4/h6,8-10,14,16-17,23,30H,7,11-13,15H2,1-5H3
InChIKey
DMINLHDXIUXMEJ-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.2417 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.24898 215.7
[M+Na]+ 493.23092 219.9
[M-H]- 469.23442 225.3
[M+NH4]+ 488.27552 224.3
[M+K]+ 509.20486 219.0
[M+H-H2O]+ 453.23896 207.3
[M+HCOO]- 515.23990 234.6
[M+CH3COO]- 529.25555 242.3
[M+Na-2H]- 491.21637 208.3
[M]+ 470.24115 224.6
[M]- 470.24225 224.6
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.