CID 2909444

2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholinoethyl)-2h-pyrrol-5-one

Structural Information

Molecular Formula
C23H26N2O7
SMILES
COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CO4)OC
InChI
InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,20,27H,7-10,12-13H2,1-2H3
InChIKey
CLOCOXWERSSZQD-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2
Patents

442.174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.18128 202.2
[M+Na]+ 465.16322 207.1
[M-H]- 441.16672 212.7
[M+NH4]+ 460.20782 208.2
[M+K]+ 481.13716 206.3
[M+H-H2O]+ 425.17126 193.4
[M+HCOO]- 487.17220 216.5
[M+CH3COO]- 501.18785 227.3
[M+Na-2H]- 463.14867 196.8
[M]+ 442.17345 205.8
[M]- 442.17455 205.8
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.