CID 3088830

119457-35-1

Structural Information

Molecular Formula
C28H19BrClN5O2
SMILES
CC\1=NN(C(=O)/C1=C(/C)\C2=CC=C(C=C2)Cl)C(=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53
InChI
InChI=1S/C28H19BrClN5O2/c1-15(17-7-10-19(30)11-8-17)25-16(2)33-35(28(25)37)24(36)14-34-23-12-9-18(29)13-20(23)26-27(34)32-22-6-4-3-5-21(22)31-26/h3-13H,14H2,1-2H3/b25-15-
InChIKey
FEXJQYUANQLGNS-MYYYXRDXSA-N
Compound name
(4Z)-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-4-[1-(4-chlorophenyl)ethylidene]-5-methylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.0411 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.04838 232.2
[M+Na]+ 594.03032 241.0
[M+NH4]+ 589.07492 235.0
[M+K]+ 610.00426 240.1
[M-H]- 570.03382 235.1
[M+Na-2H]- 592.01577 234.4
[M]+ 571.04055 233.6
[M]- 571.04165 233.6
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.