CID 70810675

3,5-dimethoxy-n,n-diphenylaniline

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

COC1=CC(=CC(=C1)N(C2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H19NO2/c1-22-19-13-18(14-20(15-19)23-2)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3

InChIKey

HNNBPHRCCXLGQP-UHFFFAOYSA-N

Compound name

3,5-dimethoxy-N,N-diphenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 305.14157 Da
Monoisotopic Mass: 5.1
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]+	306.148846	172.2
[M+Na]+	328.130788	178.3
[M-H]-	304.134294	183.0
[M+NH4]+	323.175393	186.7
[M+K]+	344.104728	175.0
[M+H-H2O]+	288.138830	162.2
[M+HCOO]-	350.139771	197.6
[M+CH3COO]-	364.155421	210.5
[M+Na-2H]-	326.116236	177.5
[M]+	305.14102142	174.6
[M]-	305.14211858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe