CID 108092

Tesmilifene

Structural Information

Molecular Formula
C19H25NO
SMILES
CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2
InChI
InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3
InChIKey
NFIXBCVWIPOYCD-UHFFFAOYSA-N
Compound name
2-(4-benzylphenoxy)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

95
References

10314
Patents

283.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 170.3
[M+Na]+ 306.18282 174.9
[M-H]- 282.18632 177.4
[M+NH4]+ 301.22742 186.2
[M+K]+ 322.15676 171.6
[M+H-H2O]+ 266.19086 161.4
[M+HCOO]- 328.19180 194.7
[M+CH3COO]- 342.20745 208.5
[M+Na-2H]- 304.16827 174.5
[M]+ 283.19305 173.4
[M]- 283.19415 173.4
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