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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 184.2
[M+Na]+ 330.18282 191.9
[M-H]- 306.18632 185.8
[M+NH4]+ 325.22742 198.1
[M+K]+ 346.15676 184.1
[M+H-H2O]+ 290.19086 171.2
[M+HCOO]- 352.19180 197.9
[M+CH3COO]- 366.20745 214.7
[M+Na-2H]- 328.16827 186.5
[M]+ 307.19305 179.6
[M]- 307.19415 179.6
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

No patent data available for this compound.