CID 9589521

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

Structural Information

Molecular Formula
C26H22ClN5O
SMILES
CCC1=CC=C(C=C1)/C(=N/NC(=O)CN2C3=C(C=C(C=C3)Cl)C4=NC5=CC=CC=C5N=C42)/C
InChI
InChI=1S/C26H22ClN5O/c1-3-17-8-10-18(11-9-17)16(2)30-31-24(33)15-32-23-13-12-19(27)14-20(23)25-26(32)29-22-7-5-4-6-21(22)28-25/h4-14H,3,15H2,1-2H3,(H,31,33)/b30-16+
InChIKey
HPGGGDQUCVURNB-OKCVXOCRSA-N
Compound name
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.15128 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.15856 211.2
[M+Na]+ 478.14050 221.6
[M-H]- 454.14400 218.4
[M+NH4]+ 473.18510 221.4
[M+K]+ 494.11444 212.7
[M+H-H2O]+ 438.14854 199.4
[M+HCOO]- 500.14948 227.1
[M+CH3COO]- 514.16513 220.0
[M+Na-2H]- 476.12595 216.0
[M]+ 455.15073 218.8
[M]- 455.15183 218.8
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.