CID 135618173

4-azatricyclo(4.3.1.1(sup 3,8))undec-4-ene, 5-(2-(o-methoxyphenoxy)ethylamino)-, hydrochloride

Structural Information

Molecular Formula
C19H26N2O2
SMILES
COC1=CC=CC=C1OCCN=C2C3CC4CC(C3)CC(C4)N2
InChI
InChI=1S/C19H26N2O2/c1-22-17-4-2-3-5-18(17)23-7-6-20-19-15-9-13-8-14(10-15)12-16(11-13)21-19/h2-5,13-16H,6-12H2,1H3,(H,20,21)
InChIKey
VKBBPLFDSCINMF-UHFFFAOYSA-N
Compound name
N-[2-(2-methoxyphenoxy)ethyl]-4-azatricyclo[4.3.1.13,8]undecan-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 159.7
[M+Na]+ 337.18865 164.5
[M+NH4]+ 332.23325 166.5
[M+K]+ 353.16259 161.3
[M-H]- 313.19215 158.7
[M+Na-2H]- 335.17410 158.1
[M]+ 314.19888 160.0
[M]- 314.19998 160.0
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.