CID 3076137

Vufb-17053

Structural Information

Molecular Formula
C17H26N2O
SMILES
CN(C)CCCOC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C17H26N2O/c1-18(2)8-5-11-20-16-12-14-6-3-9-19-10-4-7-15(13-16)17(14)19/h12-13H,3-11H2,1-2H3
InChIKey
DGYCBFVDHAKILO-UHFFFAOYSA-N
Compound name
3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yloxy)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 166.6
[M+Na]+ 297.193718 170.0
[M-H]- 273.197224 169.3
[M+NH4]+ 292.238323 183.8
[M+K]+ 313.167658 167.2
[M+H-H2O]+ 257.201760 157.7
[M+HCOO]- 319.202701 182.6
[M+CH3COO]- 333.218351 208.2
[M+Na-2H]- 295.179166 171.3
[M]+ 274.20395142 165.9
[M]- 274.20504858 165.9
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.