CID 3088813

119457-18-0

Structural Information

Molecular Formula
C28H20ClN5O2
SMILES
CC\1=NN(C(=O)/C1=C(/C)\C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C28H20ClN5O2/c1-16(18-8-4-3-5-9-18)25-17(2)32-34(28(25)36)24(35)15-33-23-11-7-6-10-20(23)26-27(33)31-21-13-12-19(29)14-22(21)30-26/h3-14H,15H2,1-2H3/b25-16-
InChIKey
LUHIXKNTZURMEF-XYGWBWBKSA-N
Compound name
(4Z)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methyl-4-(1-phenylethylidene)pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.13055 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.13783 218.3
[M+Na]+ 516.11977 237.5
[M+NH4]+ 511.16437 224.8
[M+K]+ 532.09371 231.3
[M-H]- 492.12327 223.4
[M+Na-2H]- 514.10522 225.5
[M]+ 493.13000 223.0
[M]- 493.13110 223.0
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.