CID 9589520

9-chloro-6h-indolo(2,3-b)quinoxaline-6-acetic acid (1-(4-methoxyphenyl)ethylidene)hydrazide

Structural Information

Molecular Formula
C25H20ClN5O2
SMILES
C/C(=N\NC(=O)CN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31)/C5=CC=C(C=C5)OC
InChI
InChI=1S/C25H20ClN5O2/c1-15(16-7-10-18(33-2)11-8-16)29-30-23(32)14-31-22-12-9-17(26)13-19(22)24-25(31)28-21-6-4-3-5-20(21)27-24/h3-13H,14H2,1-2H3,(H,30,32)/b29-15+
InChIKey
AAMBXVGMRPRMGU-WKULSOCRSA-N
Compound name
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.13055 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.13783 208.9
[M+Na]+ 480.11977 219.4
[M-H]- 456.12327 216.3
[M+NH4]+ 475.16437 218.9
[M+K]+ 496.09371 211.6
[M+H-H2O]+ 440.12781 197.2
[M+HCOO]- 502.12875 225.2
[M+CH3COO]- 516.14440 217.9
[M+Na-2H]- 478.10522 214.5
[M]+ 457.13000 217.5
[M]- 457.13110 217.5
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.