CID 519427

N-benzyl-1-phenylethanamine

Structural Information

Molecular Formula
C15H17N
SMILES
CC(C1=CC=CC=C1)NCC2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3
InChIKey
ZYZHMSJNPCYUTB-UHFFFAOYSA-N
Compound name
N-benzyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

2816
Patents

211.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 150.2
[M+Na]+ 234.12532 164.4
[M+NH4]+ 229.16992 160.1
[M+K]+ 250.09926 155.5
[M-H]- 210.12882 156.4
[M+Na-2H]- 232.11077 161.0
[M]+ 211.13555 154.1
[M]- 211.13665 154.1
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