CID 135705575

116989-94-7

Structural Information

Molecular Formula
C24H18ClN5O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CN2C3=C(C=C(C=C3)Cl)C4=NC5=CC=CC=C5N=C42)O
InChI
InChI=1S/C24H18ClN5O3/c1-33-21-10-14(6-9-20(21)31)12-26-29-22(32)13-30-19-8-7-15(25)11-16(19)23-24(30)28-18-5-3-2-4-17(18)27-23/h2-12,31H,13H2,1H3,(H,29,32)/b26-12+
InChIKey
OTCKZHRHBBONAC-RPPGKUMJSA-N
Compound name
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1098 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.11708 208.9
[M+Na]+ 482.09902 226.5
[M+NH4]+ 477.14362 215.8
[M+K]+ 498.07296 218.6
[M-H]- 458.10252 214.2
[M+Na-2H]- 480.08447 216.4
[M]+ 459.10925 213.3
[M]- 459.11035 213.3
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.