CID 5826042

498569-22-5

Structural Information

Molecular Formula
C31H33ClN2O4
SMILES
CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C31H33ClN2O4/c1-4-33(5-2)17-18-34-28(23-11-13-24(32)14-12-23)27(30(36)31(34)37)29(35)26-16-15-25(19-21(26)3)38-20-22-9-7-6-8-10-22/h6-16,19,28,35H,4-5,17-18,20H2,1-3H3/b29-27+
InChIKey
DRXSYDZZWHZNJO-ORIPQNMZSA-N
Compound name
(4E)-5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2129 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.22018 233.1
[M+Na]+ 555.20212 238.0
[M-H]- 531.20562 244.0
[M+NH4]+ 550.24672 239.1
[M+K]+ 571.17606 230.9
[M+H-H2O]+ 515.21016 222.0
[M+HCOO]- 577.21110 246.3
[M+CH3COO]- 591.22675 251.3
[M+Na-2H]- 553.18757 225.3
[M]+ 532.21235 237.9
[M]- 532.21345 237.9
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.