PubChemLite - 55035-43-3 (C50H44N2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C=CC5=CC=C(C=C5)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C

InChI

InChI=1S/C50H44N2/c1-37-5-25-45(26-6-37)51(46-27-7-38(2)8-28-46)49-33-21-43(22-34-49)19-17-41-13-15-42(16-14-41)18-20-44-23-35-50(36-24-44)52(47-29-9-39(3)10-30-47)48-31-11-40(4)12-32-48/h5-36H,1-4H3

InChIKey

LQYYDWJDEVKDGB-UHFFFAOYSA-N

Compound name

4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]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]+	673.35774	282.7
[M+Na]+	695.33968	304.5
[M+NH4]+	690.38428	290.9
[M+K]+	711.31362	287.2
[M-H]-	671.34318	301.0
[M+Na-2H]-	693.32513	300.1
[M]+	672.34991	291.8
[M]-	672.35101	291.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

673.35774

282.7

[M+Na]+

695.33968

304.5

[M+NH4]+

690.38428

290.9

[M+K]+

711.31362

287.2

[M-H]-

671.34318

301.0

[M+Na-2H]-

693.32513

300.1

[M]+

672.34991

291.8

[M]-

672.35101

291.8

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

55035-43-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe