CID 9589516

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

Structural Information

Molecular Formula
C26H23N5O
SMILES
CCC1=CC=C(C=C1)/C(=N/NC(=O)CN2C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42)/C
InChI
InChI=1S/C26H23N5O/c1-3-18-12-14-19(15-13-18)17(2)29-30-24(32)16-31-23-11-7-4-8-20(23)25-26(31)28-22-10-6-5-9-21(22)27-25/h4-15H,3,16H2,1-2H3,(H,30,32)/b29-17+
InChIKey
HGVSGQRRRUTKDL-STBIYBPSSA-N
Compound name
N-[(E)-1-(4-ethylphenyl)ethylideneamino]-2-indolo[3,2-b]quinoxalin-6-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.19025 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.19753 203.2
[M+Na]+ 444.17947 211.9
[M-H]- 420.18297 210.4
[M+NH4]+ 439.22407 213.6
[M+K]+ 460.15341 204.0
[M+H-H2O]+ 404.18751 191.0
[M+HCOO]- 466.18845 223.6
[M+CH3COO]- 480.20410 212.1
[M+Na-2H]- 442.16492 209.3
[M]+ 421.18970 207.8
[M]- 421.19080 207.8
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.