CID 5932510

618074-11-6

Structural Information

Molecular Formula
C29H28N2O4
SMILES
CC(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/C29H28N2O4/c1-4-16-35-24-13-11-23(12-14-24)27(32)25-26(22-9-7-21(8-10-22)19(2)3)31(29(34)28(25)33)18-20-6-5-15-30-17-20/h4-15,17,19,26,32H,1,16,18H2,2-3H3/b27-25+
InChIKey
CQFQMAOBTNTHDP-IMVLJIQESA-N
Compound name
(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2049 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.21218 216.1
[M+Na]+ 491.19412 221.1
[M-H]- 467.19762 224.7
[M+NH4]+ 486.23872 221.7
[M+K]+ 507.16806 213.8
[M+H-H2O]+ 451.20216 204.6
[M+HCOO]- 513.20310 230.9
[M+CH3COO]- 527.21875 235.6
[M+Na-2H]- 489.17957 209.5
[M]+ 468.20435 215.8
[M]- 468.20545 215.8
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.