CID 5941917

618074-15-0

Structural Information

Molecular Formula
C30H30N2O4
SMILES
CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C(=O)N2CC4=CN=CC=C4
InChI
InChI=1S/C30H30N2O4/c1-5-17-36-24-14-10-22(11-15-24)27(33)25-26(21-8-12-23(13-9-21)30(2,3)4)32(29(35)28(25)34)19-20-7-6-16-31-18-20/h5-16,18,26,33H,1,17,19H2,2-4H3/b27-25+
InChIKey
DLEUJMVQCQSUMK-IMVLJIQESA-N
Compound name
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.22055 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.22783 220.8
[M+Na]+ 505.20977 234.0
[M+NH4]+ 500.25437 224.9
[M+K]+ 521.18371 228.6
[M-H]- 481.21327 225.3
[M+Na-2H]- 503.19522 227.7
[M]+ 482.22000 223.9
[M]- 482.22110 223.9
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.