CID 3754661

371116-21-1

Structural Information

Molecular Formula
C25H21BrN2O4
SMILES
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Br)O
InChI
InChI=1S/C25H21BrN2O4/c1-2-32-20-11-7-18(8-12-20)23(29)21-22(17-5-9-19(26)10-6-17)28(25(31)24(21)30)15-16-4-3-13-27-14-16/h3-14,22,29H,2,15H2,1H3
InChIKey
XFAWVIVOBZIOKT-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.06848 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.07576 211.6
[M+Na]+ 515.05770 216.1
[M+NH4]+ 510.10230 213.4
[M+K]+ 531.03164 216.0
[M-H]- 491.06120 214.8
[M+Na-2H]- 513.04315 215.2
[M]+ 492.06793 211.9
[M]- 492.06903 211.9
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.