CID 21917707

N-desmethylhydroxyterbinafine

Structural Information

Molecular Formula
C20H23NO
SMILES
CC(C)(CO)C#C/C=C/CNCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H23NO/c1-20(2,16-22)13-6-3-7-14-21-15-18-11-8-10-17-9-4-5-12-19(17)18/h3-5,7-12,21-22H,14-16H2,1-2H3/b7-3+
InChIKey
CKGLMMKXUSSSAA-XVNBXDOJSA-N
Compound name
(E)-2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 176.6
[M+Na]+ 316.16720 187.9
[M+NH4]+ 311.21180 180.6
[M+K]+ 332.14114 176.4
[M-H]- 292.17070 170.8
[M+Na-2H]- 314.15265 178.8
[M]+ 293.17743 175.8
[M]- 293.17853 175.8
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

patents stripe