PubChemLite - 9h-carbazol-3-amine, n,n'-(2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-diylidene)bis[9-ethyl- (C34H24Cl4N4)

Structural Information

Molecular Formula

SMILES

CCN1C2=C(C=C(C=C2)N=C3C(=C(C(=NC4=CC5=C(C=C4)N(C6=CC=CC=C65)CC)C(=C3Cl)Cl)Cl)Cl)C7=CC=CC=C71

InChI

InChI=1S/C34H24Cl4N4/c1-3-41-25-11-7-5-9-21(25)23-17-19(13-15-27(23)41)39-33-29(35)31(37)34(32(38)30(33)36)40-20-14-16-28-24(18-20)22-10-6-8-12-26(22)42(28)4-2/h5-18H,3-4H2,1-2H3

InChIKey

JLANNKKWKSPTRQ-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrachloro-1-N,4-N-bis(9-ethylcarbazol-3-yl)cyclohexa-2,5-diene-1,4-diimine

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]+	629.08278	257.0
[M+Na]+	651.06472	271.1
[M-H]-	627.06822	266.3
[M+NH4]+	646.10932	266.0
[M+K]+	667.03866	260.9
[M+H-H2O]+	611.07276	244.4
[M+HCOO]-	673.07370	259.3
[M+CH3COO]-	687.08935	262.8
[M+Na-2H]-	649.05017	251.9
[M]+	628.07495	268.6
[M]-	628.07605	268.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.08278

257.0

[M+Na]+

651.06472

271.1

[M-H]-

627.06822

266.3

[M+NH4]+

646.10932

266.0

[M+K]+

667.03866

260.9

[M+H-H2O]+

611.07276

244.4

[M+HCOO]-

673.07370

259.3

[M+CH3COO]-

687.08935

262.8

[M+Na-2H]-

649.05017

251.9

[M]+

628.07495

268.6

[M]-

628.07605

268.6

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

9h-carbazol-3-amine, n,n'-(2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-diylidene)bis[9-ethyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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