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 180.6
[M+Na]+ 337.18865 186.8
[M-H]- 313.19215 182.6
[M+NH4]+ 332.23325 197.7
[M+K]+ 353.16259 182.1
[M+H-H2O]+ 297.19669 179.3
[M+HCOO]- 359.19763 188.9
[M+CH3COO]- 373.21328 187.8
[M+Na-2H]- 335.17410 188.6
[M]+ 314.19888 180.4
[M]- 314.19998 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.