CID 47641

Naftifine

Structural Information

Molecular Formula
C21H21N
SMILES
CN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+
InChIKey
OZGNYLLQHRPOBR-DHZHZOJOSA-N
Compound name
(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

194
References

23208
Patents

287.1674 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 171.0
[M+Na]+ 310.15662 187.0
[M+NH4]+ 305.20122 181.3
[M+K]+ 326.13056 175.9
[M-H]- 286.16012 178.5
[M+Na-2H]- 308.14207 182.0
[M]+ 287.16685 175.7
[M]- 287.16795 175.7
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