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]+ 315.206706 180.6
[M+Na]+ 337.188648 186.8
[M-H]- 313.192154 182.6
[M+NH4]+ 332.233253 197.7
[M+K]+ 353.162588 182.1
[M+H-H2O]+ 297.196690 179.3
[M+HCOO]- 359.197631 188.9
[M+CH3COO]- 373.213281 187.8
[M+Na-2H]- 335.174096 188.6
[M]+ 314.19888142 180.4
[M]- 314.19997858 180.4
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.