PubChemLite - 1,4-benzenediamine, n,n,n',n'-tetrakis[4-(diethylamino)phenyl]- (C46H60N6)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(CC)CC)C5=CC=C(C=C5)N(CC)CC

InChI

InChI=1S/C46H60N6/c1-9-47(10-2)37-17-25-41(26-18-37)51(42-27-19-38(20-28-42)48(11-3)12-4)45-33-35-46(36-34-45)52(43-29-21-39(22-30-43)49(13-5)14-6)44-31-23-40(24-32-44)50(15-7)16-8/h17-36H,9-16H2,1-8H3

InChIKey

CEASIDDAJACXTG-UHFFFAOYSA-N

Compound name

4-N-[4-[4-(diethylamino)-N-[4-(diethylamino)phenyl]anilino]phenyl]-4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethylbenzene-1,4-diamine

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]+	697.49528	283.5
[M+Na]+	719.47722	278.6
[M-H]-	695.48072	301.7
[M+NH4]+	714.52182	281.7
[M+K]+	735.45116	276.7
[M+H-H2O]+	679.48526	265.2
[M+HCOO]-	741.48620	307.3
[M+CH3COO]-	755.50185	312.9
[M+Na-2H]-	717.46267	277.7
[M]+	696.48745	289.2
[M]-	696.48855	289.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

697.49528

283.5

[M+Na]+

719.47722

278.6

[M-H]-

695.48072

301.7

[M+NH4]+

714.52182

281.7

[M+K]+

735.45116

276.7

[M+H-H2O]+

679.48526

265.2

[M+HCOO]-

741.48620

307.3

[M+CH3COO]-

755.50185

312.9

[M+Na-2H]-

717.46267

277.7

[M]+

696.48745

289.2

[M]-

696.48855

289.2

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

1,4-benzenediamine, n,n,n',n'-tetrakis[4-(diethylamino)phenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe