PubChemLite - 67707-04-4 (C43H41N3)

Structural Information

Molecular Formula

SMILES

CCCCN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)N(C)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C6=CC=CC=C6)C7=CC=CC=C71

InChI

InChI=1S/C43H41N3/c1-4-5-30-46-41-19-13-12-18-39(41)40-31-34(24-29-42(40)46)43(32-20-25-37(26-21-32)44(2)35-14-8-6-9-15-35)33-22-27-38(28-23-33)45(3)36-16-10-7-11-17-36/h6-29,31,43H,4-5,30H2,1-3H3

InChIKey

UMAFXEHJBLLIRG-UHFFFAOYSA-N

Compound name

4-[(9-butylcarbazol-3-yl)-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenylaniline

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]+	600.33738	258.2
[M+Na]+	622.31932	277.8
[M+NH4]+	617.36392	267.5
[M+K]+	638.29326	264.9
[M-H]-	598.32282	273.0
[M+Na-2H]-	620.30477	272.2
[M]+	599.32955	265.9
[M]-	599.33065	265.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

600.33738

258.2

[M+Na]+

622.31932

277.8

[M+NH4]+

617.36392

267.5

[M+K]+

638.29326

264.9

[M-H]-

598.32282

273.0

[M+Na-2H]-

620.30477

272.2

[M]+

599.32955

265.9

[M]-

599.33065

265.9

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

67707-04-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe