CID 6338278

40494-50-6

Structural Information

Molecular Formula
C19H26N2O
SMILES
CN1C2CCC1CC(C2)O/N=C/3\CCCCC4=CC=CC=C43
InChI
InChI=1S/C19H26N2O/c1-21-15-10-11-16(21)13-17(12-15)22-20-19-9-5-3-7-14-6-2-4-8-18(14)19/h2,4,6,8,15-17H,3,5,7,9-13H2,1H3/b20-19+
InChIKey
BMDOCODTUYXWAL-FMQUCBEESA-N
Compound name
(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.211776 171.5
[M+Na]+ 321.193718 174.7
[M-H]- 297.197224 178.1
[M+NH4]+ 316.238323 188.8
[M+K]+ 337.167658 172.8
[M+H-H2O]+ 281.201760 164.0
[M+HCOO]- 343.202701 186.9
[M+CH3COO]- 357.218351 180.7
[M+Na-2H]- 319.179166 173.2
[M]+ 298.20395142 164.4
[M]- 298.20504858 164.4
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.