CID 6443233

Desmethylterbinafine

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
3
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 176.5
[M+Na]+ 300.17226 185.0
[M-H]- 276.17576 178.3
[M+NH4]+ 295.21686 191.6
[M+K]+ 316.14620 176.3
[M+H-H2O]+ 260.18030 163.8
[M+HCOO]- 322.18124 191.3
[M+CH3COO]- 336.19689 209.5
[M+Na-2H]- 298.15771 180.4
[M]+ 277.18249 171.0
[M]- 277.18359 171.0
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.