CID 231956

Tris(4-formylphenyl)amine

Structural Information

Molecular Formula

C₂₁H₁₅NO₃

SMILES

C1=CC(=CC=C1C=O)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C21H15NO3/c23-13-16-1-7-19(8-2-16)22(20-9-3-17(14-24)4-10-20)21-11-5-18(15-25)6-12-21/h1-15H

InChIKey

YOXHQRNDWBRUOL-UHFFFAOYSA-N

Compound name

4-(4-formyl-N-(4-formylphenyl)anilino)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 386
Patents: 329.1052 Da
Monoisotopic Mass: 3.5
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]+	330.112476	176.7
[M+Na]+	352.094418	184.1
[M-H]-	328.097924	187.9
[M+NH4]+	347.139023	190.1
[M+K]+	368.068358	179.4
[M+H-H2O]+	312.102460	166.6
[M+HCOO]-	374.103401	202.5
[M+CH3COO]-	388.119051	214.5
[M+Na-2H]-	350.079866	180.9
[M]+	329.10465142	179.2
[M]-	329.10574858	179.2

Literature stripe

literature stripe

Patent stripe

patents stripe