CID 3088818

119457-23-7

Structural Information

Molecular Formula
C28H19Cl2N5O2
SMILES
CC\1=NN(C(=O)/C1=C(/C)\C2=CC=C(C=C2)Cl)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C28H19Cl2N5O2/c1-15(17-7-9-18(29)10-8-17)25-16(2)33-35(28(25)37)24(36)14-34-23-6-4-3-5-20(23)26-27(34)32-21-12-11-19(30)13-22(21)31-26/h3-13H,14H2,1-2H3/b25-15-
InChIKey
ZAGHQEPHGNDPEM-MYYYXRDXSA-N
Compound name
(4Z)-2-[2-(2-chloroindolo[2,3-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

527.09155 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.09883 224.2
[M+Na]+ 550.08077 244.1
[M+NH4]+ 545.12537 230.8
[M+K]+ 566.05471 237.1
[M-H]- 526.08427 229.2
[M+Na-2H]- 548.06622 230.8
[M]+ 527.09100 229.2
[M]- 527.09210 229.2
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.