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
7
Annotation Hits

195
References

24078
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 169.8
[M+Na]+ 310.15662 175.3
[M-H]- 286.16012 177.7
[M+NH4]+ 305.20122 186.3
[M+K]+ 326.13056 169.6
[M+H-H2O]+ 270.16466 160.7
[M+HCOO]- 332.16560 193.2
[M+CH3COO]- 346.18125 181.0
[M+Na-2H]- 308.14207 176.0
[M]+ 287.16685 169.9
[M]- 287.16795 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.