CID 21917706

Hydroxy terbinafine

Structural Information

Molecular Formula

C₂₁H₂₅NO

SMILES

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

InChI

InChI=1S/C21H25NO/c1-21(2,17-23)14-7-4-8-15-22(3)16-19-12-9-11-18-10-5-6-13-20(18)19/h4-6,8-13,23H,15-17H2,1-3H3/b8-4+

InChIKey

GPEJUKJZTGFNKY-XBXARRHUSA-N

Compound name

(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 307.1936 Da
Monoisotopic Mass: 4.4
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]+	308.200876	184.2
[M+Na]+	330.182818	191.9
[M-H]-	306.186324	185.8
[M+NH4]+	325.227423	198.1
[M+K]+	346.156758	184.1
[M+H-H2O]+	290.190860	171.2
[M+HCOO]-	352.191801	197.9
[M+CH3COO]-	366.207451	214.7
[M+Na-2H]-	328.168266	186.5
[M]+	307.19305142	179.6
[M]-	307.19414858	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe