CID 3021032

4-dibenzylamino-3-ethoxyaniline

Structural Information

Molecular Formula
C22H24N2O
SMILES
CCOC1=C(C=CC(=C1)N)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H24N2O/c1-2-25-22-15-20(23)13-14-21(22)24(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17,23H2,1H3
InChIKey
AGKXGFQHIDJYGP-UHFFFAOYSA-N
Compound name
1-N,1-N-dibenzyl-2-ethoxybenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.196146 181.7
[M+Na]+ 355.178088 186.2
[M-H]- 331.181594 191.5
[M+NH4]+ 350.222693 194.5
[M+K]+ 371.152028 181.4
[M+H-H2O]+ 315.186130 171.3
[M+HCOO]- 377.187071 206.6
[M+CH3COO]- 391.202721 218.7
[M+Na-2H]- 353.163536 185.5
[M]+ 332.18832142 181.8
[M]- 332.18941858 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.