CID 135770480

119457-16-8

Structural Information

Molecular Formula
C28H20ClN5O4
SMILES
CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)O)OC)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C28H20ClN5O4/c1-15-19(11-16-7-10-23(35)24(12-16)38-2)28(37)34(32-15)25(36)14-33-22-6-4-3-5-18(22)26-27(33)31-20-9-8-17(29)13-21(20)30-26/h3-13,35H,14H2,1-2H3/b19-11+
InChIKey
RMIMIXOXFWKOQY-YBFXNURJSA-N
Compound name
(4E)-2-[2-(2-chloroindolo[2,3-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

525.12036 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.12764 228.6
[M+Na]+ 548.10958 241.4
[M-H]- 524.11308 235.8
[M+NH4]+ 543.15418 234.3
[M+K]+ 564.08352 232.2
[M+H-H2O]+ 508.11762 216.8
[M+HCOO]- 570.11856 237.8
[M+CH3COO]- 584.13421 235.9
[M+Na-2H]- 546.09503 225.8
[M]+ 525.11981 237.5
[M]- 525.12091 237.5
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.