CID 135770483

119457-28-2

Structural Information

Molecular Formula
C28H20BrN5O4
SMILES
CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)O)OC)C(=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53
InChI
InChI=1S/C28H20BrN5O4/c1-15-18(11-16-7-10-23(35)24(12-16)38-2)28(37)34(32-15)25(36)14-33-22-9-8-17(29)13-19(22)26-27(33)31-21-6-4-3-5-20(21)30-26/h3-13,35H,14H2,1-2H3/b18-11+
InChIKey
TZAQLRWZSHXAIJ-WOJGMQOQSA-N
Compound name
(4E)-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.0699 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.07718 236.5
[M+Na]+ 592.05912 243.7
[M+NH4]+ 587.10372 237.7
[M+K]+ 608.03306 244.2
[M-H]- 568.06262 238.3
[M+Na-2H]- 590.04457 237.2
[M]+ 569.06935 237.0
[M]- 569.07045 237.0
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.