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

No literature data available for this compound.

Patent stripe

patents stripe