CID 6450786

119457-27-1

Structural Information

Molecular Formula
C29H23BrN6O2
SMILES
CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C(=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53
InChI
InChI=1S/C29H23BrN6O2/c1-17-21(14-18-8-11-20(12-9-18)34(2)3)29(38)36(33-17)26(37)16-35-25-13-10-19(30)15-22(25)27-28(35)32-24-7-5-4-6-23(24)31-27/h4-15H,16H2,1-3H3/b21-14+
InChIKey
IFBXJDSFVZPFOH-KGENOOAVSA-N
Compound name
(4E)-2-[2-(9-bromoindolo[3,2-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

566.10657 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.11385 232.9
[M+Na]+ 589.09579 240.0
[M+NH4]+ 584.14039 235.0
[M+K]+ 605.06973 240.1
[M-H]- 565.09929 236.2
[M+Na-2H]- 587.08124 235.1
[M]+ 566.10602 233.8
[M]- 566.10712 233.8
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.