CID 3057123

3-(3-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yloxy)nortropan-8-yl)propionitrile maleate

Structural Information

Molecular Formula
C25H28N2O
SMILES
C1CC2CC(CC1N2CCC#N)OC3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C25H28N2O/c26-14-5-15-27-20-12-13-21(27)17-22(16-20)28-25-23-8-3-1-6-18(23)10-11-19-7-2-4-9-24(19)25/h1-4,6-9,20-22,25H,5,10-13,15-17H2
InChIKey
RJZZBLKVDISJDR-UHFFFAOYSA-N
Compound name
3-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.22015 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22743 192.1
[M+Na]+ 395.20937 200.3
[M-H]- 371.21287 196.8
[M+NH4]+ 390.25397 205.6
[M+K]+ 411.18331 190.0
[M+H-H2O]+ 355.21741 179.1
[M+HCOO]- 417.21835 201.6
[M+CH3COO]- 431.23400 198.8
[M+Na-2H]- 393.19482 192.4
[M]+ 372.21960 182.8
[M]- 372.22070 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.