CID 1549008

Terbinafine

Structural Information

Molecular Formula

C₂₁H₂₅N

SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+

InChIKey

DOMXUEMWDBAQBQ-WEVVVXLNSA-N

Compound name

(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2761
References: 68959
Patents: 291.1987 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.20598	180.3
[M+Na]+	314.18792	188.5
[M-H]-	290.19142	183.1
[M+NH4]+	309.23252	195.4
[M+K]+	330.16186	180.7
[M+H-H2O]+	274.19596	167.1
[M+HCOO]-	336.19690	195.2
[M+CH3COO]-	350.21255	215.2
[M+Na-2H]-	312.17337	183.0
[M]+	291.19815	176.1
[M]-	291.19925	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe