CID 87727

N,n-dibenzyl-p-anisidine

Structural Information

Molecular Formula
C21H21NO
SMILES
COC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H21NO/c1-23-21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3
InChIKey
CFNHDBSFANUKKQ-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

303.16232 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.169596 173.3
[M+Na]+ 326.151538 178.2
[M-H]- 302.155044 183.5
[M+NH4]+ 321.196143 187.6
[M+K]+ 342.125478 173.8
[M+H-H2O]+ 286.159580 163.2
[M+HCOO]- 348.160521 198.2
[M+CH3COO]- 362.176171 184.5
[M+Na-2H]- 324.136986 178.8
[M]+ 303.16177142 174.2
[M]- 303.16286858 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe