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

literature stripe

Patent stripe

patents stripe