CID 9589514

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

Structural Information

Molecular Formula
C25H21N5O
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)CN2C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42)/C
InChI
InChI=1S/C25H21N5O/c1-16-11-13-18(14-12-16)17(2)28-29-23(31)15-30-22-10-6-3-7-19(22)24-25(30)27-21-9-5-4-8-20(21)26-24/h3-14H,15H2,1-2H3,(H,29,31)/b28-17+
InChIKey
BHYIMEFBQJJWIO-OGLMXYFKSA-N
Compound name
2-indolo[3,2-b]quinoxalin-6-yl-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17462 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18190 198.7
[M+Na]+ 430.16384 208.0
[M-H]- 406.16734 206.2
[M+NH4]+ 425.20844 209.7
[M+K]+ 446.13778 200.3
[M+H-H2O]+ 390.17188 186.8
[M+HCOO]- 452.17282 219.6
[M+CH3COO]- 466.18847 208.1
[M+Na-2H]- 428.14929 205.4
[M]+ 407.17407 203.1
[M]- 407.17517 203.1
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.