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]+ 275.21178 166.6
[M+Na]+ 297.19372 170.0
[M-H]- 273.19722 169.3
[M+NH4]+ 292.23832 183.8
[M+K]+ 313.16766 167.2
[M+H-H2O]+ 257.20176 157.7
[M+HCOO]- 319.20270 182.6
[M+CH3COO]- 333.21835 208.2
[M+Na-2H]- 295.17917 171.3
[M]+ 274.20395 165.9
[M]- 274.20505 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.