CID 6310771

618074-65-0

Structural Information

Molecular Formula
C29H29FN2O5
SMILES
CCCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)F)\O)/C(=O)C(=O)N2CC4=CN=CC=C4
InChI
InChI=1S/C29H29FN2O5/c1-3-4-5-15-37-22-11-8-20(9-12-22)26-25(27(33)21-10-13-24(36-2)23(30)16-21)28(34)29(35)32(26)18-19-7-6-14-31-17-19/h6-14,16-17,26,33H,3-5,15,18H2,1-2H3/b27-25+
InChIKey
VEYJMFRCBNGYCX-IMVLJIQESA-N
Compound name
(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.20605 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.21333 228.5
[M+Na]+ 527.19527 240.9
[M+NH4]+ 522.23987 231.7
[M+K]+ 543.16921 235.0
[M-H]- 503.19877 231.7
[M+Na-2H]- 525.18072 233.6
[M]+ 504.20550 230.9
[M]- 504.20660 230.9
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.