PubChemLite - Benzenamine, 4,4'-cyclohexylidenebis[n,n-bis(4-methylphenyl)- (C46H46N2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C4(CCCCC4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C

InChI

InChI=1S/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3

InChIKey

ZOKIJILZFXPFTO-UHFFFAOYSA-N

Compound name

4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline

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]+	627.37338	262.9
[M+Na]+	649.35532	262.5
[M-H]-	625.35882	281.6
[M+NH4]+	644.39992	263.3
[M+K]+	665.32926	254.6
[M+H-H2O]+	609.36336	243.6
[M+HCOO]-	671.36430	278.5
[M+CH3COO]-	685.37995	265.6
[M+Na-2H]-	647.34077	257.7
[M]+	626.36555	256.6
[M]-	626.36665	256.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

627.37338

262.9

[M+Na]+

649.35532

262.5

[M-H]-

625.35882

281.6

[M+NH4]+

644.39992

263.3

[M+K]+

665.32926

254.6

[M+H-H2O]+

609.36336

243.6

[M+HCOO]-

671.36430

278.5

[M+CH3COO]-

685.37995

265.6

[M+Na-2H]-

647.34077

257.7

[M]+

626.36555

256.6

[M]-

626.36665

256.6

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

Benzenamine, 4,4'-cyclohexylidenebis[n,n-bis(4-methylphenyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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