CID 4362644

N-benzyl-4-phenylbutan-2-amine

Structural Information

Molecular Formula
C17H21N
SMILES
CC(CCC1=CC=CC=C1)NCC2=CC=CC=C2
InChI
InChI=1S/C17H21N/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3
InChIKey
ZASBYHZJHQFLGN-UHFFFAOYSA-N
Compound name
N-benzyl-4-phenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

239.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17468 159.4
[M+Na]+ 262.15662 173.2
[M+NH4]+ 257.20122 169.0
[M+K]+ 278.13056 163.8
[M-H]- 238.16012 165.5
[M+Na-2H]- 260.14207 169.7
[M]+ 239.16685 163.2
[M]- 239.16795 163.2
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