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 227.3
[M+Na]+ 550.08077 240.3
[M-H]- 526.08427 234.3
[M+NH4]+ 545.12537 234.0
[M+K]+ 566.05471 230.2
[M+H-H2O]+ 510.08881 214.8
[M+HCOO]- 572.08975 231.8
[M+CH3COO]- 586.10540 234.4
[M+Na-2H]- 548.06622 223.4
[M]+ 527.09100 235.7
[M]- 527.09210 235.7
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.