PubChemLite - Brn 5664389 (C24H18ClN5O2)

Structural Information

Molecular Formula

SMILES

C/C(=N/NC(=O)CN1C2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)N=C31)/C5=CC=CC=C5O

InChI

InChI=1S/C24H18ClN5O2/c1-14(16-6-3-5-9-21(16)31)28-29-22(32)13-30-20-8-4-2-7-17(20)23-24(30)27-18-11-10-15(25)12-19(18)26-23/h2-12,31H,13H2,1H3,(H,29,32)/b28-14-

InChIKey

MEJRIQRGPMXVAY-MUXKCCDJSA-N

Compound name

2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	444.12218	203.3
[M+Na]+	466.10412	214.0
[M-H]-	442.10762	209.8
[M+NH4]+	461.14872	213.4
[M+K]+	482.07806	205.7
[M+H-H2O]+	426.11216	192.5
[M+HCOO]-	488.11310	218.7
[M+CH3COO]-	502.12875	212.3
[M+Na-2H]-	464.08957	209.3
[M]+	443.11435	210.1
[M]-	443.11545	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.12218

203.3

[M+Na]+

466.10412

214.0

[M-H]-

442.10762

209.8

[M+NH4]+

461.14872

213.4

[M+K]+

482.07806

205.7

[M+H-H2O]+

426.11216

192.5

[M+HCOO]-

488.11310

218.7

[M+CH3COO]-

502.12875

212.3

[M+Na-2H]-

464.08957

209.3

[M]+

443.11435

210.1

[M]-

443.11545

210.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Brn 5664389

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe