CID 6450782

119457-15-7

Structural Information

Molecular Formula
C29H23ClN6O2
SMILES
CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C29H23ClN6O2/c1-17-22(14-18-8-11-20(12-9-18)34(2)3)29(38)36(33-17)26(37)16-35-25-7-5-4-6-21(25)27-28(35)32-23-13-10-19(30)15-24(23)31-27/h4-15H,16H2,1-3H3/b22-14+
InChIKey
MRODPMFPDKSGPO-HYARGMPZSA-N
Compound name
(4E)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[[4-(dimethylamino)phenyl]methylidene]-5-methylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.1571 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.16438 226.0
[M+Na]+ 545.14632 244.6
[M+NH4]+ 540.19092 232.2
[M+K]+ 561.12026 238.6
[M-H]- 521.14982 231.9
[M+Na-2H]- 543.13177 233.0
[M]+ 522.15655 230.8
[M]- 522.15765 230.8
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.