CID 5940890

385385-72-8

Structural Information

Molecular Formula
C29H30N2O6
SMILES
CC1=C(C=CC(=C1)OC(C)C)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=C(C=CC(=C4)OC)OC)/O
InChI
InChI=1S/C29H30N2O6/c1-17(2)37-21-8-10-22(18(3)13-21)27(32)25-26(23-14-20(35-4)9-11-24(23)36-5)31(29(34)28(25)33)16-19-7-6-12-30-15-19/h6-15,17,26,32H,16H2,1-5H3/b27-25+
InChIKey
WLLBXDCCJZRLQI-IMVLJIQESA-N
Compound name
(4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(2-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.2104 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.21768 223.8
[M+Na]+ 525.19962 236.9
[M+NH4]+ 520.24422 227.2
[M+K]+ 541.17356 232.8
[M-H]- 501.20312 228.2
[M+Na-2H]- 523.18507 229.2
[M]+ 502.20985 226.7
[M]- 502.21095 226.7
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.