CID 82656

N-ethyldibenzylamine

Structural Information

Molecular Formula
C16H19N
SMILES
CCN(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H19N/c1-2-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKey
WBGPDYJIPNTOIB-UHFFFAOYSA-N
Compound name
N,N-dibenzylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2292
Patents

225.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.159026 153.0
[M+Na]+ 248.140968 158.0
[M-H]- 224.144474 160.3
[M+NH4]+ 243.185573 171.0
[M+K]+ 264.114908 154.9
[M+H-H2O]+ 208.149010 144.8
[M+HCOO]- 270.149951 178.2
[M+CH3COO]- 284.165601 196.5
[M+Na-2H]- 246.126416 159.6
[M]+ 225.15120142 153.2
[M]- 225.15229858 153.2
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