CID 3688410

496771-32-5

Structural Information

Molecular Formula
C26H31ClN2O4
SMILES
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)Cl)O)OCC(C)C
InChI
InChI=1S/C26H31ClN2O4/c1-16(2)15-33-21-11-8-19(14-17(21)3)24(30)22-23(18-6-9-20(27)10-7-18)29(13-12-28(4)5)26(32)25(22)31/h6-11,14,16,23,30H,12-13,15H2,1-5H3
InChIKey
JKGPWTDHAHPVBO-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.19724 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20452 214.7
[M+Na]+ 493.18646 226.1
[M+NH4]+ 488.23106 219.4
[M+K]+ 509.16040 221.5
[M-H]- 469.18996 218.4
[M+Na-2H]- 491.17191 218.4
[M]+ 470.19669 217.4
[M]- 470.19779 217.4
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.