CID 2913119

371118-01-3

Structural Information

Molecular Formula
C24H22BrN3O4
SMILES
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)Br)O
InChI
InChI=1S/C24H22BrN3O4/c1-32-19-9-5-17(6-10-19)22(29)20-21(16-3-7-18(25)8-4-16)28(24(31)23(20)30)13-2-12-27-14-11-26-15-27/h3-11,14-15,21,29H,2,12-13H2,1H3
InChIKey
LPPNSUKQCUDKMN-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.07938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.08666 217.4
[M+Na]+ 518.06860 220.0
[M+NH4]+ 513.11320 218.3
[M+K]+ 534.04254 222.3
[M-H]- 494.07210 219.1
[M+Na-2H]- 516.05405 218.9
[M]+ 495.07883 216.8
[M]- 495.07993 216.8
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.