PubChemLite - 25982-89-2 (C33H30Cl2N8)

Structural Information

Molecular Formula

SMILES

C=CCN1C(N(C2=NC3=C(C=CC(=C3)Cl)N=C21)CC=C)/C=C/C=C\4/N(C5=NC6=C(C=C(C=C6)Cl)N=C5N4CC=C)CC=C

InChI

InChI=1S/C33H30Cl2N8/c1-5-16-40-28(42(18-7-3)32-30(40)36-24-14-12-22(34)20-26(24)38-32)10-9-11-29-41(17-6-2)31-33(43(29)19-8-4)39-27-21-23(35)13-15-25(27)37-31/h5-15,20-21,28H,1-4,16-19H2/b10-9+,29-11-

InChIKey

AROQCBQZZFJPMB-DLTBZHPISA-N

Compound name

(2Z)-6-chloro-2-[(E)-3-[6-chloro-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxalin-2-yl]prop-2-enylidene]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxaline

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]+	609.20428	260.7
[M+Na]+	631.18622	272.5
[M-H]-	607.18972	259.8
[M+NH4]+	626.23082	261.5
[M+K]+	647.16016	257.0
[M+H-H2O]+	591.19426	245.0
[M+HCOO]-	653.19520	256.9
[M+CH3COO]-	667.21085	262.5
[M+Na-2H]-	629.17167	251.3
[M]+	608.19645	266.1
[M]-	608.19755	266.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.20428

260.7

[M+Na]+

631.18622

272.5

[M-H]-

607.18972

259.8

[M+NH4]+

626.23082

261.5

[M+K]+

647.16016

257.0

[M+H-H2O]+

591.19426

245.0

[M+HCOO]-

653.19520

256.9

[M+CH3COO]-

667.21085

262.5

[M+Na-2H]-

629.17167

251.3

[M]+

608.19645

266.1

[M]-

608.19755

266.1

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

25982-89-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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