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

literature stripe

Patent stripe

patents stripe