CID 3088814

119457-19-1

Structural Information

Molecular Formula
C28H20ClN5O3
SMILES
CC\1=NN(C(=O)/C1=C(/C)\C2=CC=C(C=C2)O)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C28H20ClN5O3/c1-15(17-7-10-19(35)11-8-17)25-16(2)32-34(28(25)37)24(36)14-33-23-6-4-3-5-20(23)26-27(33)31-21-12-9-18(29)13-22(21)30-26/h3-13,35H,14H2,1-2H3/b25-15-
InChIKey
VDQIPLCBGZYDBM-MYYYXRDXSA-N
Compound name
(4Z)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-hydroxyphenyl)ethylidene]-5-methylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.12546 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.13274 222.5
[M+Na]+ 532.11468 241.0
[M+NH4]+ 527.15928 228.1
[M+K]+ 548.08862 235.8
[M-H]- 508.11818 226.8
[M+Na-2H]- 530.10013 228.4
[M]+ 509.12491 226.7
[M]- 509.12601 226.7
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.