CID 66681

N,n-dibenzylaniline

Structural Information

Molecular Formula
C20H19N
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H19N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKey
ISGXOWLMGOPVPB-UHFFFAOYSA-N
Compound name
N,N-dibenzylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2838
Patents

273.15176 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15904 164.9
[M+Na]+ 296.14098 169.5
[M-H]- 272.14448 174.9
[M+NH4]+ 291.18558 180.2
[M+K]+ 312.11492 164.6
[M+H-H2O]+ 256.14902 155.2
[M+HCOO]- 318.14996 189.9
[M+CH3COO]- 332.16561 176.4
[M+Na-2H]- 294.12643 171.8
[M]+ 273.15121 163.7
[M]- 273.15231 163.7
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