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
2
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 180.3
[M+Na]+ 316.16720 188.2
[M-H]- 292.17070 180.8
[M+NH4]+ 311.21180 194.1
[M+K]+ 332.14114 179.5
[M+H-H2O]+ 276.17524 167.7
[M+HCOO]- 338.17618 193.9
[M+CH3COO]- 352.19183 209.0
[M+Na-2H]- 314.15265 183.8
[M]+ 293.17743 174.3
[M]- 293.17853 174.3
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