CID 20431411

4-bis(4-methylphenyl)aminobenzaldehyde-1,1-diphenyl-hydrazone

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)/C=N/N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3/c1-26-13-19-29(20-14-26)35(30-21-15-27(2)16-22-30)31-23-17-28(18-24-31)25-34-36(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h3-25H,1-2H3/b34-25+

InChIKey

WCVWLLLVYFDRTB-YQCHCMBFSA-N

Compound name

N-[4-[(E)-(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

Related CIDs

2D Structure

1
Annotation Hits: 0
References: 143
Patents: 467.23615 Da
Monoisotopic Mass: 9.2
XlogP (predicted)

Profile

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]+	468.24343	219.5
[M+Na]+	490.22537	222.2
[M-H]-	466.22887	236.6
[M+NH4]+	485.26997	226.3
[M+K]+	506.19931	215.6
[M+H-H2O]+	450.23341	204.6
[M+HCOO]-	512.23435	245.4
[M+CH3COO]-	526.25000	227.3
[M+Na-2H]-	488.21082	222.4
[M]+	467.23560	218.7
[M]-	467.23670	218.7

Literature stripe

Patent stripe