CID 3088815

119457-20-4

Structural Information

Molecular Formula
C29H22ClN5O3
SMILES
CC\1=NN(C(=O)/C1=C(/C)\C2=CC=C(C=C2)OC)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C29H22ClN5O3/c1-16(18-8-11-20(38-3)12-9-18)26-17(2)33-35(29(26)37)25(36)15-34-24-7-5-4-6-21(24)27-28(34)32-22-13-10-19(30)14-23(22)31-27/h4-14H,15H2,1-3H3/b26-16-
InChIKey
UGMHZVBWPDOGAE-QQXSKIMKSA-N
Compound name
(4Z)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-methoxyphenyl)ethylidene]-5-methylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.1411 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.14838 226.2
[M+Na]+ 546.13032 245.0
[M+NH4]+ 541.17492 232.0
[M+K]+ 562.10426 239.4
[M-H]- 522.13382 230.9
[M+Na-2H]- 544.11577 232.4
[M]+ 523.14055 230.7
[M]- 523.14165 230.7
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.