CID 6443233

N-desmethyl terbinafine

Structural Information

Molecular Formula
C20H23N
SMILES
CC(C)(C)C#C/C=C/CNCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H23N/c1-20(2,3)14-7-4-8-15-21-16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13,21H,15-16H2,1-3H3/b8-4+
InChIKey
IZJZLXQHMWUCIC-XBXARRHUSA-N
Compound name
(E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

277.18304 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 173.4
[M+Na]+ 300.17226 185.7
[M+NH4]+ 295.21686 178.3
[M+K]+ 316.14620 173.4
[M-H]- 276.17576 168.5
[M+Na-2H]- 298.15771 176.5
[M]+ 277.18249 173.1
[M]- 277.18359 173.1
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