PubChemLite - Rsm-932a cation (C46H38Cl2N4)

Structural Information

Molecular Formula

SMILES

CN(C1=CC=C(C=C1)Cl)C2=CC=[N+](C3=CC=CC=C32)CC4=CC=C(C=C4)C5=CC=C(C=C5)C[N+]6=CC=C(C7=CC=CC=C76)N(C)C8=CC=C(C=C8)Cl

InChI

InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2

InChIKey

QGYGTMZEJNOHNU-UHFFFAOYSA-N

Compound name

1-[[4-[4-[[4-(4-chloro-N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-(4-chlorophenyl)-N-methylquinolin-1-ium-4-amine

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]+	717.25468	285.3
[M+Na]+	739.23662	312.9
[M+NH4]+	734.28122	296.1
[M+K]+	755.21056	295.7
[M-H]-	715.24012	304.4
[M+Na-2H]-	737.22207	301.8
[M]+	716.24685	296.8
[M]-	716.24795	296.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

717.25468

285.3

[M+Na]+

739.23662

312.9

[M+NH4]+

734.28122

296.1

[M+K]+

755.21056

295.7

[M-H]-

715.24012

304.4

[M+Na-2H]-

737.22207

301.8

[M]+

716.24685

296.8

[M]-

716.24795

296.8

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

Rsm-932a cation

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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