CID 2926227

609797-06-0

Structural Information

Molecular Formula
C27H27NO7
SMILES
COCCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC
InChI
InChI=1S/C27H27NO7/c1-32-14-7-13-28-24(23(26(30)27(28)31)25(29)21-10-6-15-34-21)19-11-12-20(22(16-19)33-2)35-17-18-8-4-3-5-9-18/h3-6,8-12,15-16,24,30H,7,13-14,17H2,1-2H3
InChIKey
CDZPWFNUXIOKDP-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.17874 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.18602 215.3
[M+Na]+ 500.16796 227.4
[M+NH4]+ 495.21256 219.3
[M+K]+ 516.14190 225.4
[M-H]- 476.17146 220.9
[M+Na-2H]- 498.15341 220.6
[M]+ 477.17819 218.4
[M]- 477.17929 218.4
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.